============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 31 0.900 8.761 11.087 67.962 -99.200 -91.000 TYR 37 0.840 2.311 11.224 69.709 -99.200 -91.000 TRP 40 1.040 -6.370 4.221 62.388 -99.200 -91.000 TRP6 40 1.020 -6.752 3.888 60.088 -99.200 -91.000 TYR 41 0.840 -9.919 11.153 65.408 -99.200 -91.000 TYR 54 0.840 -5.240 5.996 72.818 -99.200 -91.000 PHE 60 1.000 -11.343 7.634 73.315 -99.200 -91.000 PHE 67 1.000 -14.025 -0.361 64.649 -99.200 -91.000 PHE 76 1.000 2.000 3.238 61.352 -99.200 -91.000 TYR 91 0.840 -14.137 3.183 59.885 -99.200 -91.000 TYR 92 0.840 -11.613 11.138 56.593 -99.200 -91.000 PHE 94 1.000 -4.523 14.049 63.256 -99.200 -91.000 HIS 98 0.900 7.905 13.745 62.697 -99.200 -91.000 PHE 103 1.000 -7.237 15.302 60.518 -99.200 -91.000 PHE 123 1.000 -45.485 11.439 51.110 -99.200 -91.000 PHE 140 1.000 -39.633 11.219 50.037 -99.200 -91.000 PHE 144 1.000 -32.868 2.076 46.677 -99.200 -91.000 TYR 145 0.840 -26.694 -3.163 49.680 -99.200 -91.000 TRP 153 1.040 -41.675 11.395 39.599 -99.200 -91.000 TRP6 153 1.020 -43.599 12.053 40.805 -99.200 -91.000 TRP 168 1.040 -29.134 7.195 44.639 -99.200 -91.000 TRP6 168 1.020 -30.130 8.173 42.735 -99.200 -91.000 TYR 178 0.840 -26.779 2.655 49.575 -99.200 -91.000 TYR 191 0.840 -50.959 18.437 40.938 -99.200 -91.000 HIS 194 0.900 -51.550 17.061 32.994 -99.200 -91.000 TYR 197 0.840 -50.510 14.307 38.493 -99.200 -91.000 HIS 203 0.900 -33.574 -3.502 44.497 -99.200 -91.000 PHE 214 1.000 -51.106 12.032 43.143 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gk0A1 GLU 1 HA 0.00 0.02 0.10 -0.75 4.29 3.66 2gk0A1 GLU 1 HB2 -0.00 -0.03 0.04 -0.04 2.09 2.05 2gk0A1 GLU 1 HB3 0.00 -0.03 0.11 -0.04 1.99 2.04 2gk0A1 GLU 1 HG2 0.01 -0.00 0.03 -0.04 2.34 2.33 2gk0A1 GLU 1 HG3 0.00 0.02 0.03 -0.04 2.34 2.36 2gk0A1 LEU 2 H -0.01 0.21 0.04 -0.55 8.37 8.06 2gk0A1 LEU 2 HA -0.01 -0.05 0.40 -0.75 4.35 3.94 2gk0A1 LEU 2 HB2 -0.02 0.07 0.09 -0.04 1.64 1.74 2gk0A1 LEU 2 HB3 -0.00 0.05 0.05 -0.04 1.64 1.69 2gk0A1 LEU 2 HG -0.01 0.00 -0.09 -0.04 1.64 1.50 2gk0A1 LEU 2 HD13 0.04 0.02 -0.08 -0.04 0.93 0.87 2gk0A1 LEU 2 HD23 0.01 -0.04 -0.14 -0.04 0.89 0.69 2gk0A1 VAL 3 H 0.01 0.09 0.27 -0.55 8.24 8.06 2gk0A1 VAL 3 HA 0.01 0.25 1.00 -0.75 4.13 4.64 2gk0A1 VAL 3 HB 0.02 -0.06 -0.03 -0.04 2.12 2.01 2gk0A1 VAL 3 HG13 0.03 0.01 -0.01 -0.04 0.97 0.96 2gk0A1 VAL 3 HG23 0.01 0.01 -0.04 -0.04 0.95 0.89 2gk0A1 MET 4 H 0.02 0.25 0.09 -0.55 8.47 8.29 2gk0A1 MET 4 HA 0.02 0.48 1.02 -0.75 4.52 5.28 2gk0A1 MET 4 HB2 0.00 -0.01 -0.10 -0.04 2.15 2.01 2gk0A1 MET 4 HB3 -0.03 -0.03 -0.16 -0.04 2.03 1.77 2gk0A1 MET 4 HG2 -0.03 -0.05 -0.24 -0.04 2.63 2.26 2gk0A1 MET 4 HG3 -0.08 0.04 -0.27 -0.04 2.56 2.21 2gk0A1 MET 4 HE3 -0.19 0.01 -0.35 -0.04 2.10 1.53 2gk0A1 THR 5 H 0.04 0.68 0.36 -0.55 8.28 8.82 2gk0A1 THR 5 HA 0.04 0.13 0.78 -0.75 4.39 4.59 2gk0A1 THR 5 HB 0.04 0.01 -0.09 -0.04 4.32 4.24 2gk0A1 THR 5 HG23 0.03 0.00 -0.07 -0.04 1.22 1.14 2gk0A1 GLN 6 H 0.04 0.21 0.19 -0.55 8.47 8.37 2gk0A1 GLN 6 HA 0.11 0.33 1.02 -0.75 4.36 5.06 2gk0A1 GLN 6 HB2 0.03 -0.15 0.07 -0.04 2.15 2.07 2gk0A1 GLN 6 HB3 0.07 0.16 -0.16 -0.04 2.02 2.04 2gk0A1 GLN 6 HG2 0.21 0.11 -0.12 -0.04 2.40 2.56 2gk0A1 GLN 6 HG3 0.04 -0.05 -0.18 -0.04 2.39 2.16 2gk0A1 GLN 6 HE21 0.10 0.64 0.24 -0.04 6.97 7.91 2gk0A1 GLN 6 HE22 0.23 0.06 -0.12 -0.04 7.69 7.82 2gk0A1 THR 7 H 0.09 0.49 0.27 -0.55 8.28 8.58 2gk0A1 THR 7 HA 0.05 0.14 0.73 -0.75 4.39 4.56 2gk0A1 THR 7 HB 0.03 -0.05 0.08 -0.04 4.32 4.35 2gk0A1 THR 7 HG23 0.04 0.00 -0.23 -0.04 1.22 0.99 2gk0A1 PRO 8 HA 0.03 0.04 0.38 -0.51 4.44 4.39 2gk0A1 PRO 8 HB2 0.03 0.01 0.09 -0.04 2.28 2.37 2gk0A1 PRO 8 HB3 0.03 0.02 0.15 -0.04 2.02 2.17 2gk0A1 PRO 8 HG2 0.04 -0.03 -0.33 -0.04 2.03 1.67 2gk0A1 PRO 8 HG3 0.02 0.05 0.05 -0.04 2.03 2.12 2gk0A1 PRO 8 HD2 0.04 0.14 0.28 -0.04 3.68 4.10 2gk0A1 PRO 8 HD3 0.03 0.09 0.30 -0.04 3.65 4.03 2gk0A1 LEU 9 H 0.02 0.10 0.20 -0.55 8.37 8.15 2gk0A1 LEU 9 HA 0.02 0.22 0.60 -0.75 4.35 4.43 2gk0A1 LEU 9 HB2 0.01 0.02 0.03 -0.04 1.64 1.66 2gk0A1 LEU 9 HB3 0.01 0.06 0.18 -0.04 1.64 1.85 2gk0A1 LEU 9 HG 0.02 -0.05 0.21 -0.04 1.64 1.78 2gk0A1 LEU 9 HD13 0.01 0.00 0.06 -0.04 0.93 0.96 2gk0A1 LEU 9 HD23 0.02 -0.02 0.11 -0.04 0.89 0.96 2gk0A1 SER 10 H 0.03 0.14 0.03 -0.55 8.46 8.12 2gk0A1 SER 10 HA 0.05 0.19 0.64 -0.75 4.49 4.62 2gk0A1 SER 10 HB2 0.04 0.02 0.12 -0.04 3.95 4.09 2gk0A1 SER 10 HB3 0.03 -0.10 0.02 -0.04 3.93 3.83 2gk0A1 LEU 11 H 0.06 0.53 0.14 -0.55 8.37 8.57 2gk0A1 LEU 11 HA 0.03 0.25 1.18 -0.75 4.35 5.07 2gk0A1 LEU 11 HB2 0.03 0.00 -0.14 -0.04 1.64 1.50 2gk0A1 LEU 11 HB3 0.03 -0.05 0.09 -0.04 1.64 1.67 2gk0A1 LEU 11 HG 0.01 0.18 -0.21 -0.04 1.64 1.59 2gk0A1 LEU 11 HD13 0.01 0.01 0.08 -0.04 0.93 0.99 2gk0A1 LEU 11 HD23 -0.02 0.00 0.04 -0.04 0.89 0.87 2gk0A1 PRO 12 HA 0.08 0.63 0.66 -0.51 4.44 5.30 2gk0A1 PRO 12 HB2 0.06 -0.02 0.00 -0.04 2.28 2.28 2gk0A1 PRO 12 HB3 0.09 0.01 0.05 -0.04 2.02 2.13 2gk0A1 PRO 12 HG2 0.04 0.00 0.06 -0.04 2.03 2.09 2gk0A1 PRO 12 HG3 0.05 -0.00 0.01 -0.04 2.03 2.05 2gk0A1 PRO 12 HD2 0.03 0.07 0.24 -0.04 3.68 3.98 2gk0A1 PRO 12 HD3 0.04 0.27 -0.08 -0.04 3.65 3.84 2gk0A1 VAL 13 H 0.06 0.37 0.41 -0.55 8.24 8.53 2gk0A1 VAL 13 HA 0.01 0.08 0.62 -0.75 4.13 4.09 2gk0A1 VAL 13 HB 0.01 0.13 -0.46 -0.04 2.12 1.76 2gk0A1 VAL 13 HG13 0.00 -0.02 -0.34 -0.04 0.97 0.57 2gk0A1 VAL 13 HG23 -0.02 0.02 -0.03 -0.04 0.95 0.87 2gk0A1 SER 14 H -0.01 0.18 0.17 -0.55 8.46 8.26 2gk0A1 SER 14 HA -0.03 0.27 1.22 -0.75 4.49 5.20 2gk0A1 SER 14 HB2 -0.02 -0.02 -0.00 -0.04 3.95 3.86 2gk0A1 SER 14 HB3 -0.03 0.17 0.15 -0.04 3.93 4.17 2gk0A1 LEU 15 H -0.04 0.24 0.18 -0.55 8.37 8.19 2gk0A1 LEU 15 HA -0.03 0.39 0.50 -0.75 4.35 4.45 2gk0A1 LEU 15 HB2 -0.04 -0.05 0.13 -0.04 1.64 1.63 2gk0A1 LEU 15 HB3 -0.03 0.05 0.08 -0.04 1.64 1.69 2gk0A1 LEU 15 HG -0.05 -0.04 0.03 -0.04 1.64 1.54 2gk0A1 LEU 15 HD13 -0.07 0.00 0.03 -0.04 0.93 0.85 2gk0A1 LEU 15 HD23 -0.03 0.03 -0.03 -0.04 0.89 0.82 2gk0A1 GLY 16 H -0.04 0.12 -0.04 -0.55 8.43 7.93 2gk0A1 GLY 16 HA2 -0.04 -0.01 0.39 -0.51 4.01 3.84 2gk0A1 GLY 16 HA3 -0.03 0.19 0.82 -0.51 4.01 4.49 2gk0A1 ASP 17 H -0.03 0.73 -0.17 -0.55 8.40 8.38 2gk0A1 ASP 17 HA -0.04 0.10 0.94 -0.75 4.63 4.88 2gk0A1 ASP 17 HB2 -0.02 0.01 0.21 -0.04 2.71 2.87 2gk0A1 ASP 17 HB3 -0.03 0.11 0.11 -0.04 2.70 2.85 2gk0A1 GLN 18 H -0.05 0.10 0.22 -0.55 8.47 8.20 2gk0A1 GLN 18 HA -0.09 0.11 0.75 -0.75 4.36 4.37 2gk0A1 GLN 18 HB2 -0.10 0.03 -0.01 -0.04 2.15 2.03 2gk0A1 GLN 18 HB3 -0.06 -0.08 0.18 -0.04 2.02 2.01 2gk0A1 GLN 18 HG2 -0.06 -0.04 -0.44 -0.04 2.40 1.82 2gk0A1 GLN 18 HG3 -0.08 0.14 -0.18 -0.04 2.39 2.23 2gk0A1 GLN 18 HE21 -0.04 -0.01 -0.05 -0.04 6.97 6.83 2gk0A1 GLN 18 HE22 -0.07 0.01 -0.09 -0.04 7.69 7.50 2gk0A1 ALA 19 H -0.12 0.86 0.44 -0.55 8.40 9.03 2gk0A1 ALA 19 HA -0.06 0.16 0.79 -0.75 4.34 4.48 2gk0A1 ALA 19 HB3 -0.10 0.00 -0.02 -0.04 1.41 1.25 2gk0A1 SER 20 H -0.05 0.24 0.12 -0.55 8.46 8.22 2gk0A1 SER 20 HA -0.10 0.30 1.09 -0.75 4.49 5.03 2gk0A1 SER 20 HB2 -0.04 -0.04 -0.13 -0.04 3.95 3.70 2gk0A1 SER 20 HB3 -0.02 0.00 0.07 -0.04 3.93 3.93 2gk0A1 ILE 21 H -0.14 0.80 0.30 -0.55 8.25 8.66 2gk0A1 ILE 21 HA 0.05 0.34 1.06 -0.75 4.18 4.88 2gk0A1 ILE 21 HB -0.34 -0.19 0.21 -0.04 1.89 1.53 2gk0A1 ILE 21 HG12 -0.12 -0.03 -0.33 -0.04 1.49 0.96 2gk0A1 ILE 21 HG13 -0.35 0.04 -0.06 -0.04 1.21 0.79 2gk0A1 ILE 21 HG23 0.44 0.02 -0.19 -0.04 0.93 1.16 2gk0A1 ILE 21 HD13 -0.08 0.01 -0.13 -0.04 0.88 0.64 2gk0A1 SER 22 H 0.09 0.44 0.22 -0.55 8.46 8.67 2gk0A1 SER 22 HA 0.16 0.25 1.02 -0.75 4.49 5.16 2gk0A1 SER 22 HB2 0.06 -0.04 0.06 -0.04 3.95 3.99 2gk0A1 SER 22 HB3 0.08 -0.02 0.15 -0.04 3.93 4.11 2gk0A1 CYS 23 H 0.33 0.91 0.41 -0.55 8.50 9.61 2gk0A1 CYS 23 HA 0.18 0.28 0.99 -0.75 4.58 5.29 2gk0A1 CYS 23 HB2 0.40 -0.01 -0.12 -0.04 2.97 3.20 2gk0A1 CYS 23 HB3 0.39 -0.09 0.01 -0.04 2.97 3.23 2gk0A1 ARG 24 H 0.10 0.78 0.35 -0.55 8.46 9.14 2gk0A1 ARG 24 HA 0.11 0.25 1.24 -0.75 4.34 5.19 2gk0A1 ARG 24 HB2 0.06 -0.03 -0.06 -0.04 1.90 1.83 2gk0A1 ARG 24 HB3 0.05 -0.11 0.11 -0.04 1.80 1.81 2gk0A1 ARG 24 HG2 0.04 0.25 -0.05 -0.04 1.67 1.87 2gk0A1 ARG 24 HG3 0.03 -0.06 0.01 -0.04 1.67 1.60 2gk0A1 ARG 24 HD2 0.03 -0.04 -0.07 -0.04 3.22 3.11 2gk0A1 ARG 24 HD3 0.02 0.00 -0.06 -0.04 3.22 3.14 2gk0A1 SER 25 H 0.12 0.74 0.39 -0.55 8.46 9.16 2gk0A1 SER 25 HA 0.05 0.19 0.89 -0.75 4.49 4.87 2gk0A1 SER 25 HB2 0.06 -0.12 -0.07 -0.04 3.95 3.78 2gk0A1 SER 25 HB3 0.10 -0.04 -0.04 -0.04 3.93 3.92 2gk0A1 SER 26 H 0.02 0.17 0.14 -0.55 8.46 8.25 2gk0A1 SER 26 HA 0.02 0.10 0.50 -0.75 4.49 4.36 2gk0A1 SER 26 HB2 0.01 0.05 0.21 -0.04 3.95 4.17 2gk0A1 SER 26 HB3 0.01 0.03 0.30 -0.04 3.93 4.23 2gk0A1 GLN 27 H 0.03 0.04 -0.66 -0.55 8.47 7.33 2gk0A1 GLN 27 HA 0.01 0.10 0.38 -0.75 4.36 4.10 2gk0A1 GLN 27 HB2 -0.00 -0.15 0.20 -0.04 2.15 2.15 2gk0A1 GLN 27 HB3 -0.01 0.17 -0.03 -0.04 2.02 2.12 2gk0A1 GLN 27 HG2 -0.01 -0.07 -0.24 -0.04 2.40 2.04 2gk0A1 GLN 27 HG3 0.03 0.07 -0.23 -0.04 2.39 2.22 2gk0A1 GLN 27 HE21 -0.14 -0.06 0.04 -0.04 6.97 6.77 2gk0A1 GLN 27 HE22 0.03 0.13 0.21 -0.04 7.69 8.02 2gk0A1 SER 27 H 0.11 0.20 0.12 -0.55 8.46 8.35 2gk0A1 SER 27 HA 0.04 0.15 0.57 -0.75 4.49 4.50 2gk0A1 SER 27 HB2 0.00 0.05 0.01 -0.04 3.95 3.97 2gk0A1 SER 27 HB3 0.02 0.05 0.12 -0.04 3.93 4.08 2gk0A1 ILE 27 H 0.09 0.09 0.17 -0.55 8.25 8.06 2gk0A1 ILE 27 HA 0.01 0.17 0.78 -0.75 4.18 4.39 2gk0A1 ILE 27 HB 0.11 0.09 -0.05 -0.04 1.89 1.99 2gk0A1 ILE 27 HG12 -0.15 -0.17 0.02 -0.04 1.49 1.16 2gk0A1 ILE 27 HG13 0.02 0.11 -0.02 -0.04 1.21 1.28 2gk0A1 ILE 27 HG23 -0.13 -0.03 -0.20 -0.04 0.93 0.54 2gk0A1 ILE 27 HD13 -0.02 0.01 -0.15 -0.04 0.88 0.68 2gk0A1 VAL 27 H 0.06 -0.11 0.11 -0.55 8.24 7.74 2gk0A1 VAL 27 HA -0.08 0.09 0.30 -0.75 4.13 3.69 2gk0A1 VAL 27 HB 0.03 -0.05 0.02 -0.04 2.12 2.07 2gk0A1 VAL 27 HG13 0.01 0.12 -0.08 -0.04 0.97 0.98 2gk0A1 VAL 27 HG23 0.13 0.03 0.08 -0.04 0.95 1.15 2gk0A1 HIS 27 H -0.02 -0.03 -0.46 -0.55 8.41 7.35 2gk0A1 HIS 27 HA -0.04 0.27 0.51 -0.75 4.63 4.62 2gk0A1 HIS 27 HB2 -0.13 -0.16 -0.10 -0.04 3.26 2.83 2gk0A1 HIS 27 HB3 -0.06 -0.25 -0.11 -0.04 3.20 2.74 2gk0A1 HIS 27 HD2 -0.24 0.01 0.05 -0.04 6.97 6.74 2gk0A1 HIS 27 HE1 -0.04 0.01 -0.06 -0.04 7.75 7.62 2gk0A1 SER 27 H 0.11 0.20 0.12 -0.55 8.46 8.35 2gk0A1 SER 27 HA 0.04 0.15 0.57 -0.75 4.49 4.50 2gk0A1 SER 27 HB2 0.00 0.05 0.01 -0.04 3.95 3.97 2gk0A1 SER 27 HB3 0.02 0.05 0.12 -0.04 3.93 4.08 2gk0A1 ASN 28 H -0.02 0.07 -0.11 -0.55 8.53 7.93 2gk0A1 ASN 28 HA -0.00 0.17 0.50 -0.75 4.76 4.68 2gk0A1 ASN 28 HB2 -0.04 0.02 0.16 -0.04 2.88 2.98 2gk0A1 ASN 28 HB3 -0.04 0.06 0.11 -0.04 2.79 2.89 2gk0A1 ASN 28 HD21 -0.16 0.03 0.03 -0.04 7.03 6.88 2gk0A1 ASN 28 HD22 -0.08 0.05 0.02 -0.04 7.74 7.69 2gk0A1 GLY 29 H 0.04 0.46 -1.32 -0.55 8.43 7.07 2gk0A1 GLY 29 HA2 0.02 0.21 0.25 -0.51 4.01 3.98 2gk0A1 GLY 29 HA3 0.01 0.05 0.17 -0.51 4.01 3.73 2gk0A1 ASN 30 H 0.05 0.08 -0.63 -0.55 8.53 7.48 2gk0A1 ASN 30 HA -0.12 0.16 0.78 -0.75 4.76 4.82 2gk0A1 ASN 30 HB2 -0.03 0.05 0.12 -0.04 2.88 2.97 2gk0A1 ASN 30 HB3 -0.44 -0.02 -0.01 -0.04 2.79 2.28 2gk0A1 ASN 30 HD21 0.10 -0.01 -0.00 -0.04 7.03 7.07 2gk0A1 ASN 30 HD22 0.07 -0.03 0.01 -0.04 7.74 7.75 2gk0A1 THR 31 H -0.17 0.29 0.19 -0.55 8.28 8.04 2gk0A1 THR 31 HA -0.38 0.38 0.84 -0.75 4.39 4.47 2gk0A1 THR 31 HB -0.04 -0.04 -0.39 -0.04 4.32 3.81 2gk0A1 THR 31 HG23 0.04 0.04 0.02 -0.04 1.22 1.27 2gk0A1 TYR 32 H -0.33 0.17 0.01 -0.55 8.29 7.58 2gk0A1 TYR 32 HA -0.11 0.24 0.62 -0.75 4.56 4.57 2gk0A1 TYR 32 HB2 -0.21 -0.34 -0.04 -0.04 3.06 2.43 2gk0A1 TYR 32 HB3 -0.12 0.10 0.08 -0.04 2.98 3.00 2gk0A1 TYR 32 HD2 -0.08 0.21 -0.32 -0.04 7.15 6.92 2gk0A1 TYR 32 HE2 0.03 0.01 -0.02 -0.04 6.85 6.83 2gk0A1 LEU 33 H -0.13 0.32 -0.13 -0.55 8.37 7.88 2gk0A1 LEU 33 HA -0.21 0.76 1.22 -0.75 4.35 5.36 2gk0A1 LEU 33 HB2 -0.48 -0.01 -0.14 -0.04 1.64 0.98 2gk0A1 LEU 33 HB3 -0.45 -0.05 -0.02 -0.04 1.64 1.08 2gk0A1 LEU 33 HG 0.05 -0.06 -0.44 -0.04 1.64 1.15 2gk0A1 LEU 33 HD13 -0.66 -0.01 -0.17 -0.04 0.93 0.05 2gk0A1 LEU 33 HD23 0.14 -0.01 -0.04 -0.04 0.89 0.93 2gk0A1 GLU 34 H 0.02 0.59 0.27 -0.55 8.60 8.94 2gk0A1 GLU 34 HA 0.11 0.28 1.12 -0.75 4.29 5.03 2gk0A1 GLU 34 HB2 0.39 -0.01 -0.14 -0.04 2.09 2.30 2gk0A1 GLU 34 HB3 0.02 -0.03 0.09 -0.04 1.99 2.03 2gk0A1 GLU 34 HG2 0.21 0.04 -0.12 -0.04 2.34 2.42 2gk0A1 GLU 34 HG3 0.56 -0.00 -0.08 -0.04 2.34 2.78 2gk0A1 TRP 35 H 0.16 0.50 0.37 -0.55 7.97 8.45 2gk0A1 TRP 35 HA 0.18 0.37 0.99 -0.75 4.62 5.40 2gk0A1 TRP 35 HB2 -0.01 -0.22 0.16 -0.04 3.23 3.12 2gk0A1 TRP 35 HB3 0.11 0.06 -0.00 -0.04 3.23 3.37 2gk0A1 TRP 35 HD1 -0.00 0.05 -0.23 -0.04 7.22 7.00 2gk0A1 TRP 35 HE1 0.01 0.02 -0.17 -0.04 10.20 10.02 2gk0A1 TRP 35 HE3 0.24 0.04 -0.20 -0.04 7.59 7.62 2gk0A1 TRP 35 HZ2 0.10 -0.02 -0.24 -0.04 7.44 7.24 2gk0A1 TRP 35 HZ3 0.13 0.03 -0.25 -0.04 7.13 7.00 2gk0A1 TRP 35 HH2 0.08 0.03 -0.30 -0.04 7.19 6.97 2gk0A1 TYR 36 H 0.44 0.44 0.32 -0.55 8.29 8.94 2gk0A1 TYR 36 HA 0.07 0.46 0.78 -0.75 4.56 5.12 2gk0A1 TYR 36 HB2 0.04 -0.00 -0.04 -0.04 3.06 3.01 2gk0A1 TYR 36 HB3 -0.03 -0.06 -0.05 -0.04 2.98 2.79 2gk0A1 TYR 36 HD2 -0.03 -0.00 -0.51 -0.04 7.15 6.57 2gk0A1 TYR 36 HE2 -0.10 -0.01 -0.18 -0.04 6.85 6.52 2gk0A1 LEU 37 H 0.06 0.29 0.30 -0.55 8.37 8.48 2gk0A1 LEU 37 HA -0.10 0.46 0.91 -0.75 4.35 4.86 2gk0A1 LEU 37 HB2 -0.79 -0.02 -0.14 -0.04 1.64 0.65 2gk0A1 LEU 37 HB3 -0.17 -0.02 0.00 -0.04 1.64 1.41 2gk0A1 LEU 37 HG -0.13 -0.09 -0.44 -0.04 1.64 0.94 2gk0A1 LEU 37 HD13 -0.35 -0.04 -0.33 -0.04 0.93 0.17 2gk0A1 LEU 37 HD23 -0.15 0.04 -0.18 -0.04 0.89 0.56 2gk0A1 GLN 38 H -0.02 0.44 0.13 -0.55 8.47 8.47 2gk0A1 GLN 38 HA -0.03 0.23 0.58 -0.75 4.36 4.39 2gk0A1 GLN 38 HB2 -0.07 -0.10 -0.16 -0.04 2.15 1.78 2gk0A1 GLN 38 HB3 0.03 -0.10 0.13 -0.04 2.02 2.04 2gk0A1 GLN 38 HG2 -0.00 -0.18 -0.02 -0.04 2.40 2.16 2gk0A1 GLN 38 HG3 -0.02 0.54 -0.09 -0.04 2.39 2.78 2gk0A1 GLN 38 HE21 -0.08 -0.18 -0.07 -0.04 6.97 6.60 2gk0A1 GLN 38 HE22 -0.05 0.53 -0.30 -0.04 7.69 7.84 2gk0A1 LYS 39 H -0.02 0.12 -0.08 -0.55 8.42 7.90 2gk0A1 LYS 39 HA 0.00 0.17 0.48 -0.75 4.32 4.21 2gk0A1 LYS 39 HB2 -0.00 -0.09 0.04 -0.04 1.87 1.77 2gk0A1 LYS 39 HB3 0.00 0.03 0.16 -0.04 1.79 1.94 2gk0A1 LYS 39 HG2 0.01 0.09 0.04 -0.04 1.46 1.56 2gk0A1 LYS 39 HG3 -0.02 0.00 -0.06 -0.04 1.46 1.34 2gk0A1 LYS 39 HD2 -0.01 0.06 -0.06 -0.04 1.69 1.64 2gk0A1 LYS 39 HD3 0.00 -0.07 0.01 -0.04 1.68 1.57 2gk0A1 LYS 39 HE2 0.02 0.04 0.01 -0.04 2.99 3.02 2gk0A1 LYS 39 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2gk0A1 PRO 40 HA 0.02 0.05 0.49 -0.51 4.44 4.48 2gk0A1 PRO 40 HB2 0.01 -0.01 0.03 -0.04 2.28 2.27 2gk0A1 PRO 40 HB3 0.02 -0.04 0.09 -0.04 2.02 2.04 2gk0A1 PRO 40 HG2 -0.00 -0.01 0.01 -0.04 2.03 1.99 2gk0A1 PRO 40 HG3 0.01 0.06 -0.01 -0.04 2.03 2.05 2gk0A1 PRO 40 HD2 0.00 0.05 0.18 -0.04 3.68 3.88 2gk0A1 PRO 40 HD3 0.01 0.23 0.13 -0.04 3.65 3.98 2gk0A1 GLY 41 H 0.01 0.11 0.13 -0.55 8.43 8.13 2gk0A1 GLY 41 HA2 -0.01 -0.03 0.36 -0.51 4.01 3.83 2gk0A1 GLY 41 HA3 -0.00 0.02 0.41 -0.51 4.01 3.92 2gk0A1 GLN 42 H -0.01 0.32 -0.97 -0.55 8.47 7.27 2gk0A1 GLN 42 HA -0.01 -0.05 0.26 -0.75 4.36 3.80 2gk0A1 GLN 42 HB2 -0.01 -0.15 -0.01 -0.04 2.15 1.94 2gk0A1 GLN 42 HB3 -0.01 0.03 0.07 -0.04 2.02 2.06 2gk0A1 GLN 42 HG2 -0.00 0.15 0.01 -0.04 2.40 2.51 2gk0A1 GLN 42 HG3 -0.00 -0.04 -0.01 -0.04 2.39 2.29 2gk0A1 GLN 42 HE21 -0.00 -0.04 -0.00 -0.04 6.97 6.89 2gk0A1 GLN 42 HE22 -0.01 0.00 0.03 -0.04 7.69 7.67 2gk0A1 SER 43 H -0.02 0.01 0.17 -0.55 8.46 8.07 2gk0A1 SER 43 HA -0.07 0.11 0.55 -0.75 4.49 4.33 2gk0A1 SER 43 HB2 -0.03 0.06 0.02 -0.04 3.95 3.96 2gk0A1 SER 43 HB3 -0.07 -0.01 0.14 -0.04 3.93 3.95 2gk0A1 PRO 44 HA -0.00 0.25 0.16 -0.51 4.44 4.34 2gk0A1 PRO 44 HB2 -0.18 -0.02 -0.11 -0.04 2.28 1.93 2gk0A1 PRO 44 HB3 -0.14 -0.02 -0.07 -0.04 2.02 1.75 2gk0A1 PRO 44 HG2 -0.34 0.01 0.01 -0.04 2.03 1.67 2gk0A1 PRO 44 HG3 -0.30 0.06 -0.00 -0.04 2.03 1.74 2gk0A1 PRO 44 HD2 -0.13 0.06 0.15 -0.04 3.68 3.72 2gk0A1 PRO 44 HD3 -0.15 0.12 0.20 -0.04 3.65 3.79 2gk0A1 LYS 45 H 0.15 0.06 0.31 -0.55 8.42 8.38 2gk0A1 LYS 45 HA 0.15 0.08 0.74 -0.75 4.32 4.54 2gk0A1 LYS 45 HB2 0.07 -0.02 0.10 -0.04 1.87 1.97 2gk0A1 LYS 45 HB3 0.05 0.11 -0.12 -0.04 1.79 1.79 2gk0A1 LYS 45 HG2 0.00 0.00 0.14 -0.04 1.46 1.56 2gk0A1 LYS 45 HG3 -0.00 0.09 -0.21 -0.04 1.46 1.30 2gk0A1 LYS 45 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.65 2gk0A1 LYS 45 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 2gk0A1 LYS 45 HE2 0.02 -0.00 -0.06 -0.04 2.99 2.90 2gk0A1 LYS 45 HE3 0.06 0.03 -0.03 -0.04 2.99 3.00 2gk0A1 LEU 46 H -0.10 0.09 0.12 -0.55 8.37 7.93 2gk0A1 LEU 46 HA -0.92 0.29 0.55 -0.75 4.35 3.52 2gk0A1 LEU 46 HB2 -0.63 -0.00 0.07 -0.04 1.64 1.03 2gk0A1 LEU 46 HB3 -0.75 -0.02 0.05 -0.04 1.64 0.89 2gk0A1 LEU 46 HG -0.34 0.03 -0.53 -0.04 1.64 0.76 2gk0A1 LEU 46 HD13 -0.31 0.02 -0.22 -0.04 0.93 0.38 2gk0A1 LEU 46 HD23 -1.40 -0.01 -0.12 -0.04 0.89 -0.68 2gk0A1 LEU 47 H -0.20 0.33 0.23 -0.55 8.37 8.19 2gk0A1 LEU 47 HA -0.07 0.18 0.85 -0.75 4.35 4.56 2gk0A1 LEU 47 HB2 -0.02 -0.14 0.05 -0.04 1.64 1.48 2gk0A1 LEU 47 HB3 -0.39 0.01 -0.06 -0.04 1.64 1.16 2gk0A1 LEU 47 HG 0.02 0.06 -0.39 -0.04 1.64 1.29 2gk0A1 LEU 47 HD13 0.08 -0.01 -0.20 -0.04 0.93 0.77 2gk0A1 LEU 47 HD23 -0.23 0.04 -0.25 -0.04 0.89 0.40 2gk0A1 ILE 48 H 0.09 0.12 0.17 -0.55 8.25 8.08 2gk0A1 ILE 48 HA 0.13 0.65 0.64 -0.75 4.18 4.84 2gk0A1 ILE 48 HB 0.20 -0.04 -0.03 -0.04 1.89 1.97 2gk0A1 ILE 48 HG12 -0.04 -0.12 -0.36 -0.04 1.49 0.93 2gk0A1 ILE 48 HG13 -0.11 0.08 -0.34 -0.04 1.21 0.79 2gk0A1 ILE 48 HG23 0.03 -0.01 -0.65 -0.04 0.93 0.26 2gk0A1 ILE 48 HD13 0.06 0.06 -0.50 -0.04 0.88 0.46 2gk0A1 TYR 49 H 0.03 0.58 0.17 -0.55 8.29 8.51 2gk0A1 TYR 49 HA -0.02 0.12 0.90 -0.75 4.56 4.81 2gk0A1 TYR 49 HB2 -0.08 0.00 0.10 -0.04 3.06 3.04 2gk0A1 TYR 49 HB3 -0.23 -0.03 -0.10 -0.04 2.98 2.58 2gk0A1 TYR 49 HD2 0.01 0.04 -0.12 -0.04 7.15 7.05 2gk0A1 TYR 49 HE2 0.10 0.17 -0.08 -0.04 6.85 7.00 2gk0A1 LYS 50 H -0.17 -0.08 -0.17 -0.55 8.42 7.45 2gk0A1 LYS 50 HA -0.04 0.13 0.51 -0.75 4.32 4.16 2gk0A1 LYS 50 HB2 -0.44 -0.08 -0.04 -0.04 1.87 1.26 2gk0A1 LYS 50 HB3 -0.13 -0.02 0.29 -0.04 1.79 1.88 2gk0A1 LYS 50 HG2 0.02 0.03 0.10 -0.04 1.46 1.57 2gk0A1 LYS 50 HG3 0.11 0.26 0.25 -0.04 1.46 2.04 2gk0A1 LYS 50 HD2 0.19 -0.01 -0.02 -0.04 1.69 1.81 2gk0A1 LYS 50 HD3 0.09 0.01 -0.06 -0.04 1.68 1.67 2gk0A1 LYS 50 HE2 -0.16 -0.04 -0.00 -0.04 2.99 2.75 2gk0A1 LYS 50 HE3 -0.05 -0.00 0.05 -0.04 2.99 2.94 2gk0A1 VAL 51 H 0.04 0.67 0.07 -0.55 8.24 8.47 2gk0A1 VAL 51 HA 0.15 0.06 0.32 -0.75 4.13 3.91 2gk0A1 VAL 51 HB 0.06 0.15 0.03 -0.04 2.12 2.32 2gk0A1 VAL 51 HG13 0.35 -0.02 -0.31 -0.04 0.97 0.96 2gk0A1 VAL 51 HG23 -0.12 -0.02 -0.26 -0.04 0.95 0.51 2gk0A1 SER 52 H -0.03 0.69 -0.04 -0.55 8.46 8.54 2gk0A1 SER 52 HA 0.00 0.00 0.94 -0.75 4.49 4.68 2gk0A1 SER 52 HB2 0.00 -0.08 0.16 -0.04 3.95 3.99 2gk0A1 SER 52 HB3 0.02 0.60 0.19 -0.04 3.93 4.70 2gk0A1 ASN 53 H -0.13 -0.09 -0.18 -0.55 8.53 7.58 2gk0A1 ASN 53 HA -0.04 0.21 0.89 -0.75 4.76 5.07 2gk0A1 ASN 53 HB2 -0.91 -0.21 0.13 -0.04 2.88 1.84 2gk0A1 ASN 53 HB3 -0.51 0.16 0.02 -0.04 2.79 2.42 2gk0A1 ASN 53 HD21 -0.04 0.01 -0.02 -0.04 7.03 6.94 2gk0A1 ASN 53 HD22 -0.03 0.05 0.02 -0.04 7.74 7.75 2gk0A1 ARG 54 H 0.08 0.20 0.20 -0.55 8.46 8.39 2gk0A1 ARG 54 HA 0.14 0.15 0.49 -0.75 4.34 4.37 2gk0A1 ARG 54 HB2 0.10 -0.05 0.17 -0.04 1.90 2.07 2gk0A1 ARG 54 HB3 0.13 -0.01 -0.08 -0.04 1.80 1.80 2gk0A1 ARG 54 HG2 0.11 0.21 -0.03 -0.04 1.67 1.92 2gk0A1 ARG 54 HG3 0.12 -0.03 0.01 -0.04 1.67 1.73 2gk0A1 ARG 54 HD2 0.07 -0.14 0.03 -0.04 3.22 3.14 2gk0A1 ARG 54 HD3 0.08 -0.01 -0.12 -0.04 3.22 3.13 2gk0A1 PHE 55 H 0.23 0.29 0.26 -0.55 8.34 8.57 2gk0A1 PHE 55 HA 0.05 0.13 0.93 -0.75 4.62 4.97 2gk0A1 PHE 55 HB2 0.01 -0.01 -0.23 -0.04 3.15 2.88 2gk0A1 PHE 55 HB3 -0.03 0.05 -0.04 -0.04 3.06 3.00 2gk0A1 PHE 55 HD2 -0.12 0.13 0.06 -0.04 7.28 7.30 2gk0A1 PHE 55 HE2 -0.15 -0.01 0.03 -0.04 7.38 7.21 2gk0A1 PHE 55 HZ -0.10 -0.01 0.02 -0.04 7.32 7.19 2gk0A1 SER 56 H -0.95 0.10 0.13 -0.55 8.46 7.20 2gk0A1 SER 56 HA -0.16 0.09 0.51 -0.75 4.49 4.17 2gk0A1 SER 56 HB2 -0.25 0.01 0.04 -0.04 3.95 3.70 2gk0A1 SER 56 HB3 -0.29 0.02 0.11 -0.04 3.93 3.73 2gk0A1 GLY 57 H -0.09 0.14 0.10 -0.55 8.43 8.03 2gk0A1 GLY 57 HA2 -0.04 -0.03 0.37 -0.51 4.01 3.79 2gk0A1 GLY 57 HA3 -0.07 0.13 0.63 -0.51 4.01 4.19 2gk0A1 VAL 58 H -0.02 0.21 -1.11 -0.55 8.24 6.77 2gk0A1 VAL 58 HA 0.06 0.03 0.40 -0.75 4.13 3.86 2gk0A1 VAL 58 HB 0.12 0.36 0.20 -0.04 2.12 2.76 2gk0A1 VAL 58 HG13 0.07 0.07 0.00 -0.04 0.97 1.07 2gk0A1 VAL 58 HG23 0.10 0.01 0.04 -0.04 0.95 1.06 2gk0A1 PRO 59 HA 0.08 0.10 0.29 -0.51 4.44 4.40 2gk0A1 PRO 59 HB2 0.10 -0.17 0.07 -0.04 2.28 2.24 2gk0A1 PRO 59 HB3 0.09 0.09 0.14 -0.04 2.02 2.31 2gk0A1 PRO 59 HG2 0.50 -0.05 0.01 -0.04 2.03 2.45 2gk0A1 PRO 59 HG3 0.26 0.06 0.05 -0.04 2.03 2.36 2gk0A1 PRO 59 HD2 0.19 0.09 0.16 -0.04 3.68 4.08 2gk0A1 PRO 59 HD3 0.13 0.21 0.23 -0.04 3.65 4.18 2gk0A1 ASP 60 H 0.05 0.12 0.18 -0.55 8.40 8.20 2gk0A1 ASP 60 HA 0.06 0.19 0.41 -0.75 4.63 4.53 2gk0A1 ASP 60 HB2 0.01 0.02 0.01 -0.04 2.71 2.71 2gk0A1 ASP 60 HB3 0.02 0.03 0.12 -0.04 2.70 2.83 2gk0A1 ARG 61 H 0.02 0.01 -0.25 -0.55 8.46 7.69 2gk0A1 ARG 61 HA -0.09 0.06 0.35 -0.75 4.34 3.91 2gk0A1 ARG 61 HB2 -0.28 0.00 -0.07 -0.04 1.90 1.51 2gk0A1 ARG 61 HB3 -0.20 0.16 0.10 -0.04 1.80 1.83 2gk0A1 ARG 61 HG2 -0.05 -0.01 -0.00 -0.04 1.67 1.56 2gk0A1 ARG 61 HG3 -0.02 -0.11 0.04 -0.04 1.67 1.53 2gk0A1 ARG 61 HD2 -0.10 0.25 -0.01 -0.04 3.22 3.32 2gk0A1 ARG 61 HD3 -0.04 -0.03 0.01 -0.04 3.22 3.12 2gk0A1 PHE 62 H 0.14 0.30 -0.53 -0.55 8.34 7.70 2gk0A1 PHE 62 HA -0.06 0.18 0.92 -0.75 4.62 4.90 2gk0A1 PHE 62 HB2 0.02 0.17 0.04 -0.04 3.15 3.34 2gk0A1 PHE 62 HB3 -0.02 -0.04 -0.15 -0.04 3.06 2.80 2gk0A1 PHE 62 HD2 -0.04 0.02 -0.10 -0.04 7.28 7.12 2gk0A1 PHE 62 HE2 -0.03 -0.01 -0.12 -0.04 7.38 7.17 2gk0A1 PHE 62 HZ 0.26 0.04 -0.10 -0.04 7.32 7.48 2gk0A1 SER 63 H -0.00 0.81 0.39 -0.55 8.46 9.12 2gk0A1 SER 63 HA 0.02 0.21 1.01 -0.75 4.49 4.98 2gk0A1 SER 63 HB2 -0.02 0.05 -0.11 -0.04 3.95 3.82 2gk0A1 SER 63 HB3 -0.04 -0.08 0.04 -0.04 3.93 3.80 2gk0A1 GLY 64 H -0.00 0.22 0.19 -0.55 8.43 8.28 2gk0A1 GLY 64 HA2 -0.11 0.10 0.99 -0.51 4.01 4.47 2gk0A1 GLY 64 HA3 -0.02 -0.12 0.54 -0.51 4.01 3.90 2gk0A1 SER 65 H -0.04 0.57 0.50 -0.55 8.46 8.94 2gk0A1 SER 65 HA 0.04 0.14 0.88 -0.75 4.49 4.80 2gk0A1 SER 65 HB2 0.03 -0.18 0.05 -0.04 3.95 3.82 2gk0A1 SER 65 HB3 0.00 -0.01 0.05 -0.04 3.93 3.93 2gk0A1 GLY 66 H 0.07 0.20 0.16 -0.55 8.43 8.31 2gk0A1 GLY 66 HA2 0.09 -0.07 0.59 -0.51 4.01 4.11 2gk0A1 GLY 66 HA3 0.64 0.15 0.64 -0.51 4.01 4.93 2gk0A1 SER 67 H -0.55 0.53 0.26 -0.55 8.46 8.15 2gk0A1 SER 67 HA -0.10 0.20 0.86 -0.75 4.49 4.70 2gk0A1 SER 67 HB2 -0.20 0.15 0.25 -0.04 3.95 4.10 2gk0A1 SER 67 HB3 -0.21 -0.16 0.16 -0.04 3.93 3.69 2gk0A1 GLY 68 H -0.66 -0.06 0.12 -0.55 8.43 7.28 2gk0A1 GLY 68 HA2 -0.04 0.11 0.35 -0.51 4.01 3.92 2gk0A1 GLY 68 HA3 -0.11 0.09 0.42 -0.51 4.01 3.90 2gk0A1 THR 69 H -0.20 0.12 0.22 -0.55 8.28 7.87 2gk0A1 THR 69 HA 0.01 0.30 0.91 -0.75 4.39 4.86 2gk0A1 THR 69 HB -0.06 0.02 0.03 -0.04 4.32 4.27 2gk0A1 THR 69 HG23 0.00 0.07 0.05 -0.04 1.22 1.30 2gk0A1 ASP 70 H -0.38 -0.15 0.17 -0.55 8.40 7.50 2gk0A1 ASP 70 HA -0.01 0.49 1.11 -0.75 4.63 5.46 2gk0A1 ASP 70 HB2 -0.12 -0.09 0.14 -0.04 2.71 2.60 2gk0A1 ASP 70 HB3 -0.03 0.11 -0.00 -0.04 2.70 2.74 2gk0A1 PHE 71 H 0.28 0.83 0.40 -0.55 8.34 9.30 2gk0A1 PHE 71 HA 0.08 -0.05 0.94 -0.75 4.62 4.83 2gk0A1 PHE 71 HB2 0.25 -0.01 0.00 -0.04 3.15 3.36 2gk0A1 PHE 71 HB3 0.19 0.36 0.23 -0.04 3.06 3.80 2gk0A1 PHE 71 HD2 0.07 0.12 -0.15 -0.04 7.28 7.28 2gk0A1 PHE 71 HE2 -0.00 0.12 -0.32 -0.04 7.38 7.13 2gk0A1 PHE 71 HZ -0.03 0.01 -0.12 -0.04 7.32 7.14 2gk0A1 THR 72 H 0.20 0.25 -0.28 -0.55 8.28 7.90 2gk0A1 THR 72 HA 0.13 0.51 1.15 -0.75 4.39 5.43 2gk0A1 THR 72 HB -0.02 -0.01 -0.19 -0.04 4.32 4.05 2gk0A1 THR 72 HG23 0.01 -0.02 -0.28 -0.04 1.22 0.90 2gk0A1 LEU 73 H -0.26 0.69 0.39 -0.55 8.37 8.64 2gk0A1 LEU 73 HA -0.50 0.25 1.13 -0.75 4.35 4.48 2gk0A1 LEU 73 HB2 -2.49 -0.00 0.03 -0.04 1.64 -0.86 2gk0A1 LEU 73 HB3 -0.99 -0.06 0.14 -0.04 1.64 0.69 2gk0A1 LEU 73 HG -0.34 0.07 -0.33 -0.04 1.64 1.01 2gk0A1 LEU 73 HD13 -0.61 0.01 -0.09 -0.04 0.93 0.20 2gk0A1 LEU 73 HD23 -0.37 -0.01 -0.17 -0.04 0.89 0.29 2gk0A1 LYS 74 H -0.18 0.67 0.28 -0.55 8.42 8.64 2gk0A1 LYS 74 HA -0.15 0.36 1.18 -0.75 4.32 4.95 2gk0A1 LYS 74 HB2 -0.09 -0.00 0.09 -0.04 1.87 1.83 2gk0A1 LYS 74 HB3 -0.09 -0.00 -0.02 -0.04 1.79 1.63 2gk0A1 LYS 74 HG2 -0.09 0.04 -0.19 -0.04 1.46 1.19 2gk0A1 LYS 74 HG3 -0.08 -0.04 -0.24 -0.04 1.46 1.06 2gk0A1 LYS 74 HD2 -0.05 -0.00 -0.09 -0.04 1.69 1.51 2gk0A1 LYS 74 HD3 -0.06 0.02 -0.08 -0.04 1.68 1.52 2gk0A1 LYS 74 HE2 -0.03 -0.04 -0.13 -0.04 2.99 2.75 2gk0A1 LYS 74 HE3 -0.03 -0.00 -0.08 -0.04 2.99 2.83 2gk0A1 ILE 75 H -0.19 0.51 0.25 -0.55 8.25 8.27 2gk0A1 ILE 75 HA -0.41 0.40 1.00 -0.75 4.18 4.42 2gk0A1 ILE 75 HB -0.29 -0.10 0.03 -0.04 1.89 1.49 2gk0A1 ILE 75 HG12 -0.10 0.04 -0.17 -0.04 1.49 1.22 2gk0A1 ILE 75 HG13 -0.23 -0.08 -0.33 -0.04 1.21 0.52 2gk0A1 ILE 75 HG23 -1.10 0.03 -0.15 -0.04 0.93 -0.34 2gk0A1 ILE 75 HD13 -0.31 -0.01 -0.13 -0.04 0.88 0.39 2gk0A1 ASN 76 H -0.22 0.51 0.18 -0.55 8.53 8.45 2gk0A1 ASN 76 HA -0.11 0.01 0.79 -0.75 4.76 4.70 2gk0A1 ASN 76 HB2 -0.10 0.03 -0.03 -0.04 2.88 2.75 2gk0A1 ASN 76 HB3 -0.08 -0.01 0.02 -0.04 2.79 2.69 2gk0A1 ASN 76 HD21 -0.07 -0.01 -0.08 -0.04 7.03 6.82 2gk0A1 ASN 76 HD22 -0.10 0.14 0.03 -0.04 7.74 7.77 2gk0A1 ARG 77 H -0.07 0.13 -0.34 -0.55 8.46 7.62 2gk0A1 ARG 77 HA -0.05 -0.14 0.00 -0.75 4.34 3.39 2gk0A1 ARG 77 HB2 -0.06 0.06 -0.19 -0.04 1.90 1.66 2gk0A1 ARG 77 HB3 -0.05 -0.02 0.13 -0.04 1.80 1.82 2gk0A1 ARG 77 HG2 -0.05 0.04 0.06 -0.04 1.67 1.68 2gk0A1 ARG 77 HG3 -0.05 -0.04 -0.05 -0.04 1.67 1.50 2gk0A1 ARG 77 HD2 -0.03 -0.08 0.11 -0.04 3.22 3.17 2gk0A1 ARG 77 HD3 -0.03 0.36 0.25 -0.04 3.22 3.76 2gk0A1 VAL 78 H -0.07 0.42 -0.20 -0.55 8.24 7.84 2gk0A1 VAL 78 HA -0.09 0.02 0.17 -0.75 4.13 3.48 2gk0A1 VAL 78 HB -0.04 0.19 -0.07 -0.04 2.12 2.16 2gk0A1 VAL 78 HG13 -0.00 -0.01 -0.44 -0.04 0.97 0.47 2gk0A1 VAL 78 HG23 -0.08 0.00 -0.19 -0.04 0.95 0.63 2gk0A1 GLU 79 H -0.02 0.13 0.13 -0.55 8.60 8.29 2gk0A1 GLU 79 HA -0.01 0.23 0.86 -0.75 4.29 4.62 2gk0A1 GLU 79 HB2 0.03 -0.07 0.07 -0.04 2.09 2.07 2gk0A1 GLU 79 HB3 0.01 -0.03 0.17 -0.04 1.99 2.09 2gk0A1 GLU 79 HG2 -0.01 0.06 0.00 -0.04 2.34 2.35 2gk0A1 GLU 79 HG3 -0.02 0.09 -0.00 -0.04 2.34 2.36 2gk0A1 ALA 80 H -0.00 0.26 0.06 -0.55 8.40 8.17 2gk0A1 ALA 80 HA 0.01 0.12 0.37 -0.75 4.34 4.09 2gk0A1 ALA 80 HB3 -0.02 0.04 -0.35 -0.04 1.41 1.04 2gk0A1 GLU 81 H 0.03 -0.05 -0.27 -0.55 8.60 7.76 2gk0A1 GLU 81 HA 0.04 0.25 0.65 -0.75 4.29 4.47 2gk0A1 GLU 81 HB2 0.06 -0.07 0.00 -0.04 2.09 2.03 2gk0A1 GLU 81 HB3 0.05 0.03 0.09 -0.04 1.99 2.12 2gk0A1 GLU 81 HG2 0.02 0.03 0.11 -0.04 2.34 2.46 2gk0A1 GLU 81 HG3 0.02 -0.03 0.14 -0.04 2.34 2.42 2gk0A1 ASP 82 H 0.09 0.13 -0.45 -0.55 8.40 7.62 2gk0A1 ASP 82 HA 0.27 0.08 0.44 -0.75 4.63 4.68 2gk0A1 ASP 82 HB2 0.12 0.17 -0.03 -0.04 2.71 2.93 2gk0A1 ASP 82 HB3 0.31 -0.00 -0.07 -0.04 2.70 2.89 2gk0A1 LEU 83 H 0.09 0.10 -0.67 -0.55 8.37 7.34 2gk0A1 LEU 83 HA 0.13 0.02 0.25 -0.75 4.35 3.99 2gk0A1 LEU 83 HB2 0.04 0.37 0.20 -0.04 1.64 2.21 2gk0A1 LEU 83 HB3 0.04 -0.03 -0.00 -0.04 1.64 1.60 2gk0A1 LEU 83 HG 0.02 -0.00 -0.03 -0.04 1.64 1.58 2gk0A1 LEU 83 HD13 0.08 -0.03 0.16 -0.04 0.93 1.10 2gk0A1 LEU 83 HD23 -0.01 0.08 0.08 -0.04 0.89 1.00 2gk0A1 GLY 84 H 0.12 0.31 0.28 -0.55 8.43 8.60 2gk0A1 GLY 84 HA2 0.05 -0.04 0.31 -0.51 4.01 3.82 2gk0A1 GLY 84 HA3 -0.00 0.21 0.71 -0.51 4.01 4.41 2gk0A1 VAL 85 H 0.04 0.35 0.15 -0.55 8.24 8.23 2gk0A1 VAL 85 HA 0.13 0.40 1.07 -0.75 4.13 4.98 2gk0A1 VAL 85 HB 0.32 -0.03 0.01 -0.04 2.12 2.38 2gk0A1 VAL 85 HG13 -0.18 -0.01 -0.44 -0.04 0.97 0.29 2gk0A1 VAL 85 HG23 0.09 0.01 -0.09 -0.04 0.95 0.92 2gk0A1 TYR 86 H 0.33 0.63 0.36 -0.55 8.29 9.06 2gk0A1 TYR 86 HA 0.34 0.47 1.04 -0.75 4.56 5.65 2gk0A1 TYR 86 HB2 0.26 -0.03 0.13 -0.04 3.06 3.39 2gk0A1 TYR 86 HB3 0.52 -0.04 -0.03 -0.04 2.98 3.38 2gk0A1 TYR 86 HD2 0.19 0.03 -0.09 -0.04 7.15 7.24 2gk0A1 TYR 86 HE2 0.09 0.01 -0.16 -0.04 6.85 6.74 2gk0A1 TYR 87 H 0.53 0.54 0.31 -0.55 8.29 9.12 2gk0A1 TYR 87 HA 0.10 0.05 0.98 -0.75 4.56 4.94 2gk0A1 TYR 87 HB2 0.14 0.00 0.03 -0.04 3.06 3.20 2gk0A1 TYR 87 HB3 0.13 0.00 0.05 -0.04 2.98 3.12 2gk0A1 TYR 87 HD2 0.07 0.20 -0.21 -0.04 7.15 7.16 2gk0A1 TYR 87 HE2 -0.01 0.04 -0.18 -0.04 6.85 6.65 2gk0A1 CYS 88 H -0.24 0.07 0.15 -0.55 8.50 7.93 2gk0A1 CYS 88 HA -1.23 0.31 0.93 -0.75 4.58 3.83 2gk0A1 CYS 88 HB2 -0.81 0.01 -0.08 -0.04 2.97 2.05 2gk0A1 CYS 88 HB3 -2.66 0.02 -0.06 -0.04 2.97 0.23 2gk0A1 PHE 89 H -0.34 0.39 0.27 -0.55 8.34 8.10 2gk0A1 PHE 89 HA -0.30 0.37 1.19 -0.75 4.62 5.13 2gk0A1 PHE 89 HB2 -0.17 -0.03 -0.28 -0.04 3.15 2.63 2gk0A1 PHE 89 HB3 -0.11 -0.14 0.10 -0.04 3.06 2.87 2gk0A1 PHE 89 HD2 -0.80 -0.03 -0.24 -0.04 7.28 6.18 2gk0A1 PHE 89 HE2 -0.71 -0.02 -0.26 -0.04 7.38 6.35 2gk0A1 PHE 89 HZ -0.30 -0.02 -0.12 -0.04 7.32 6.84 2gk0A1 GLN 90 H -0.49 0.42 0.28 -0.55 8.47 8.13 2gk0A1 GLN 90 HA -0.33 0.25 0.92 -0.75 4.36 4.44 2gk0A1 GLN 90 HB2 -0.21 -0.03 -0.02 -0.04 2.15 1.85 2gk0A1 GLN 90 HB3 -0.26 0.03 0.14 -0.04 2.02 1.89 2gk0A1 GLN 90 HG2 -0.27 0.05 -0.65 -0.04 2.40 1.48 2gk0A1 GLN 90 HG3 -0.18 -0.10 -0.00 -0.04 2.39 2.07 2gk0A1 GLN 90 HE21 -0.04 0.21 -0.02 -0.04 6.97 7.09 2gk0A1 GLN 90 HE22 -0.16 0.01 -0.06 -0.04 7.69 7.45 2gk0A1 GLY 91 H -0.18 0.24 0.30 -0.55 8.43 8.24 2gk0A1 GLY 91 HA2 -0.35 0.22 0.89 -0.51 4.01 4.27 2gk0A1 GLY 91 HA3 -0.20 0.02 0.34 -0.51 4.01 3.65 2gk0A1 SER 92 H -0.21 0.02 0.05 -0.55 8.46 7.77 2gk0A1 SER 92 HA 0.03 0.13 0.71 -0.75 4.49 4.61 2gk0A1 SER 92 HB2 -0.78 -0.06 0.21 -0.04 3.95 3.27 2gk0A1 SER 92 HB3 -1.01 0.02 0.06 -0.04 3.93 2.96 2gk0A1 HIS 93 H -0.31 0.06 0.01 -0.55 8.41 7.63 2gk0A1 HIS 93 HA 0.02 0.24 1.02 -0.75 4.63 5.16 2gk0A1 HIS 93 HB2 -0.02 0.14 -0.12 -0.04 3.26 3.22 2gk0A1 HIS 93 HB3 0.01 -0.01 0.07 -0.04 3.20 3.22 2gk0A1 HIS 93 HD2 -0.07 0.00 0.01 -0.04 6.97 6.87 2gk0A1 HIS 93 HE1 -0.01 -0.02 -0.08 -0.04 7.75 7.60 2gk0A1 LEU 94 H 0.09 0.09 0.10 -0.55 8.37 8.10 2gk0A1 LEU 94 HA -0.00 0.06 0.48 -0.75 4.35 4.14 2gk0A1 LEU 94 HB2 0.03 -0.04 0.11 -0.04 1.64 1.70 2gk0A1 LEU 94 HB3 0.02 0.03 0.01 -0.04 1.64 1.65 2gk0A1 LEU 94 HG 0.01 0.03 -0.13 -0.04 1.64 1.50 2gk0A1 LEU 94 HD13 0.02 -0.01 0.01 -0.04 0.93 0.91 2gk0A1 LEU 94 HD23 0.01 0.00 0.04 -0.04 0.89 0.89 2gk0A1 PRO 95 HA 0.00 0.02 0.42 -0.51 4.44 4.37 2gk0A1 PRO 95 HB2 0.01 0.11 -0.04 -0.04 2.28 2.31 2gk0A1 PRO 95 HB3 0.02 -0.01 0.10 -0.04 2.02 2.09 2gk0A1 PRO 95 HG2 0.01 0.03 0.08 -0.04 2.03 2.11 2gk0A1 PRO 95 HG3 0.01 -0.02 0.06 -0.04 2.03 2.04 2gk0A1 PRO 95 HD2 0.00 0.07 0.20 -0.04 3.68 3.91 2gk0A1 PRO 95 HD3 0.00 0.13 0.45 -0.04 3.65 4.19 2gk0A1 PRO 96 HA -0.26 0.18 0.61 -0.51 4.44 4.46 2gk0A1 PRO 96 HB2 -0.46 0.03 0.02 -0.04 2.28 1.84 2gk0A1 PRO 96 HB3 -0.26 -0.00 0.13 -0.04 2.02 1.86 2gk0A1 PRO 96 HG2 0.07 0.01 0.07 -0.04 2.03 2.14 2gk0A1 PRO 96 HG3 0.01 0.01 0.06 -0.04 2.03 2.07 2gk0A1 PRO 96 HD2 0.01 0.07 0.22 -0.04 3.68 3.94 2gk0A1 PRO 96 HD3 -0.01 0.05 0.18 -0.04 3.65 3.83 2gk0A1 THR 97 H -0.53 0.28 0.36 -0.55 8.28 7.84 2gk0A1 THR 97 HA 0.00 0.25 1.17 -0.75 4.39 5.06 2gk0A1 THR 97 HB -0.00 -0.02 0.09 -0.04 4.32 4.35 2gk0A1 THR 97 HG23 -0.01 0.13 -0.18 -0.04 1.22 1.12 2gk0A1 PHE 98 H 0.25 0.22 0.25 -0.55 8.34 8.51 2gk0A1 PHE 98 HA 0.22 0.26 1.04 -0.75 4.62 5.38 2gk0A1 PHE 98 HB2 0.08 -0.01 0.10 -0.04 3.15 3.27 2gk0A1 PHE 98 HB3 0.11 0.08 0.06 -0.04 3.06 3.27 2gk0A1 PHE 98 HD2 -0.04 -0.00 -0.07 -0.04 7.28 7.13 2gk0A1 PHE 98 HE2 -0.53 -0.01 -0.12 -0.04 7.38 6.69 2gk0A1 PHE 98 HZ -0.73 -0.02 -0.10 -0.04 7.32 6.42 2gk0A1 GLY 99 H 0.24 0.26 0.27 -0.55 8.43 8.66 2gk0A1 GLY 99 HA2 0.09 0.35 0.77 -0.51 4.01 4.70 2gk0A1 GLY 99 HA3 0.06 -0.11 0.44 -0.51 4.01 3.89 2gk0A1 GLY 100 H 0.03 0.16 0.20 -0.55 8.43 8.27 2gk0A1 GLY 100 HA2 0.09 0.13 0.61 -0.51 4.01 4.33 2gk0A1 GLY 100 HA3 0.01 0.01 0.44 -0.51 4.01 3.96 2gk0A1 GLY 101 H -0.29 -0.10 -0.80 -0.55 8.43 6.70 2gk0A1 GLY 101 HA2 -0.87 0.14 0.29 -0.51 4.01 3.06 2gk0A1 GLY 101 HA3 -1.86 0.00 0.11 -0.51 4.01 1.74 2gk0A1 THR 102 H -0.04 0.78 0.34 -0.55 8.28 8.82 2gk0A1 THR 102 HA 0.00 0.39 0.97 -0.75 4.39 5.00 2gk0A1 THR 102 HB 0.20 -0.10 0.09 -0.04 4.32 4.47 2gk0A1 THR 102 HG23 0.09 -0.02 -0.45 -0.04 1.22 0.80 2gk0A1 LYS 103 H 0.04 0.66 0.30 -0.55 8.42 8.86 2gk0A1 LYS 103 HA 0.10 0.10 0.55 -0.75 4.32 4.32 2gk0A1 LYS 103 HB2 0.04 0.13 0.17 -0.04 1.87 2.16 2gk0A1 LYS 103 HB3 0.06 -0.13 0.20 -0.04 1.79 1.88 2gk0A1 LYS 103 HG2 0.09 0.02 -0.16 -0.04 1.46 1.37 2gk0A1 LYS 103 HG3 0.06 0.02 -0.06 -0.04 1.46 1.44 2gk0A1 LYS 103 HD2 0.05 -0.04 -0.04 -0.04 1.69 1.62 2gk0A1 LYS 103 HD3 0.07 -0.04 -0.08 -0.04 1.68 1.60 2gk0A1 LYS 103 HE2 0.03 0.07 -0.01 -0.04 2.99 3.04 2gk0A1 LYS 103 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.93 2gk0A1 LEU 104 H 0.20 0.77 0.33 -0.55 8.37 9.13 2gk0A1 LEU 104 HA 0.11 0.05 0.75 -0.75 4.35 4.50 2gk0A1 LEU 104 HB2 0.19 -0.03 -0.02 -0.04 1.64 1.75 2gk0A1 LEU 104 HB3 0.36 0.19 0.17 -0.04 1.64 2.32 2gk0A1 LEU 104 HG 0.15 -0.10 -0.39 -0.04 1.64 1.25 2gk0A1 LEU 104 HD13 0.05 -0.00 -0.15 -0.04 0.93 0.78 2gk0A1 LEU 104 HD23 0.16 0.02 -0.23 -0.04 0.89 0.80 2gk0A1 GLU 105 H 0.09 0.31 -0.08 -0.55 8.60 8.38 2gk0A1 GLU 105 HA 0.12 0.12 0.92 -0.75 4.29 4.69 2gk0A1 GLU 105 HB2 0.16 0.00 -0.02 -0.04 2.09 2.19 2gk0A1 GLU 105 HB3 0.11 0.00 -0.23 -0.04 1.99 1.82 2gk0A1 GLU 105 HG2 0.12 -0.07 -0.08 -0.04 2.34 2.27 2gk0A1 GLU 105 HG3 0.17 0.04 -0.17 -0.04 2.34 2.34 2gk0A1 ILE 106 H 0.12 0.13 0.13 -0.55 8.25 8.09 2gk0A1 ILE 106 HA 0.06 0.22 0.56 -0.75 4.18 4.26 2gk0A1 ILE 106 HB 0.04 -0.04 0.05 -0.04 1.89 1.91 2gk0A1 ILE 106 HG12 0.02 0.00 -0.35 -0.04 1.49 1.12 2gk0A1 ILE 106 HG13 0.05 -0.01 -0.36 -0.04 1.21 0.85 2gk0A1 ILE 106 HG23 -0.04 -0.02 -0.30 -0.04 0.93 0.53 2gk0A1 ILE 106 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.78 2gk0A1 LYS 107 H 0.00 0.72 0.47 -0.55 8.42 9.06 2gk0A1 LYS 107 HA -0.21 0.08 0.90 -0.75 4.32 4.34 2gk0A1 LYS 107 HB2 0.02 0.03 -0.01 -0.04 1.87 1.87 2gk0A1 LYS 107 HB3 0.00 0.04 -0.03 -0.04 1.79 1.76 2gk0A1 LYS 107 HG2 0.19 -0.02 -0.04 -0.04 1.46 1.55 2gk0A1 LYS 107 HG3 0.26 0.03 -0.21 -0.04 1.46 1.51 2gk0A1 LYS 107 HD2 0.11 -0.02 -0.10 -0.04 1.69 1.63 2gk0A1 LYS 107 HD3 0.06 0.00 -0.18 -0.04 1.68 1.52 2gk0A1 LYS 107 HE2 0.08 -0.00 -0.07 -0.04 2.99 2.96 2gk0A1 LYS 107 HE3 0.07 -0.01 -0.08 -0.04 2.99 2.94 2gk0A1 ARG 108 H -0.82 0.14 0.06 -0.55 8.46 7.29 2gk0A1 ARG 108 HA -0.16 0.12 0.78 -0.75 4.34 4.33 2gk0A1 ARG 108 HB2 -0.19 -0.13 0.26 -0.04 1.90 1.79 2gk0A1 ARG 108 HB3 -0.16 -0.00 0.09 -0.04 1.80 1.68 2gk0A1 ARG 108 HG2 -0.26 0.02 -0.02 -0.04 1.67 1.37 2gk0A1 ARG 108 HG3 -0.87 -0.17 0.03 -0.04 1.67 0.62 2gk0A1 ARG 108 HD2 -0.11 0.15 -0.03 -0.04 3.22 3.19 2gk0A1 ARG 108 HD3 -0.60 -0.08 0.03 -0.04 3.22 2.53 2gk0A1 ALA 109 H -0.10 0.14 0.13 -0.55 8.40 8.02 2gk0A1 ALA 109 HA -0.02 0.11 0.79 -0.75 4.34 4.47 2gk0A1 ALA 109 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 2gk0A1 ASP 110 H 0.06 0.08 0.13 -0.55 8.40 8.12 2gk0A1 ASP 110 HA 0.25 0.25 0.58 -0.75 4.63 4.95 2gk0A1 ASP 110 HB2 0.08 -0.07 0.18 -0.04 2.71 2.86 2gk0A1 ASP 110 HB3 0.13 -0.00 0.05 -0.04 2.70 2.84 2gk0A1 ALA 111 H 0.29 0.30 0.42 -0.55 8.40 8.86 2gk0A1 ALA 111 HA 0.11 0.10 0.94 -0.75 4.34 4.73 2gk0A1 ALA 111 HB3 0.10 0.01 0.04 -0.04 1.41 1.52 2gk0A1 ALA 112 H 0.09 0.08 0.18 -0.55 8.40 8.21 2gk0A1 ALA 112 HA 0.18 0.03 0.55 -0.75 4.34 4.34 2gk0A1 ALA 112 HB3 0.07 0.00 0.08 -0.04 1.41 1.52 2gk0A1 PRO 113 HA 0.08 0.45 0.47 -0.51 4.44 4.93 2gk0A1 PRO 113 HB2 -0.16 -0.04 -0.17 -0.04 2.28 1.87 2gk0A1 PRO 113 HB3 -0.23 0.01 -0.09 -0.04 2.02 1.67 2gk0A1 PRO 113 HG2 -0.06 0.03 0.04 -0.04 2.03 2.00 2gk0A1 PRO 113 HG3 -0.10 0.02 -0.04 -0.04 2.03 1.88 2gk0A1 PRO 113 HD2 0.05 0.06 0.21 -0.04 3.68 3.96 2gk0A1 PRO 113 HD3 0.12 0.08 0.24 -0.04 3.65 4.05 2gk0A1 THR 114 H 0.04 0.55 0.33 -0.55 8.28 8.65 2gk0A1 THR 114 HA -0.00 0.19 0.93 -0.75 4.39 4.76 2gk0A1 THR 114 HB 0.02 -0.12 0.14 -0.04 4.32 4.32 2gk0A1 THR 114 HG23 0.01 0.02 -0.06 -0.04 1.22 1.14 2gk0A1 VAL 115 H -0.04 0.22 0.14 -0.55 8.24 8.01 2gk0A1 VAL 115 HA -0.04 0.31 0.74 -0.75 4.13 4.38 2gk0A1 VAL 115 HB -0.08 -0.06 0.07 -0.04 2.12 2.00 2gk0A1 VAL 115 HG13 -0.15 0.01 -0.14 -0.04 0.97 0.64 2gk0A1 VAL 115 HG23 -0.12 0.04 -0.06 -0.04 0.95 0.78 2gk0A1 SER 116 H -0.08 0.25 0.19 -0.55 8.46 8.27 2gk0A1 SER 116 HA -0.19 0.13 0.77 -0.75 4.49 4.44 2gk0A1 SER 116 HB2 -0.73 0.04 -0.07 -0.04 3.95 3.16 2gk0A1 SER 116 HB3 -0.06 0.04 0.03 -0.04 3.93 3.90 2gk0A1 ILE 117 H -0.31 0.21 0.15 -0.55 8.25 7.75 2gk0A1 ILE 117 HA -0.41 0.16 1.02 -0.75 4.18 4.20 2gk0A1 ILE 117 HB -0.25 -0.09 0.04 -0.04 1.89 1.55 2gk0A1 ILE 117 HG12 -0.03 -0.02 -0.31 -0.04 1.49 1.09 2gk0A1 ILE 117 HG13 -0.07 -0.03 -0.22 -0.04 1.21 0.84 2gk0A1 ILE 117 HG23 -0.10 0.13 0.11 -0.04 0.93 1.03 2gk0A1 ILE 117 HD13 -0.09 0.06 -0.10 -0.04 0.88 0.71 2gk0A1 PHE 118 H -0.23 0.96 0.25 -0.55 8.34 8.77 2gk0A1 PHE 118 HA -0.24 0.23 1.12 -0.75 4.62 4.97 2gk0A1 PHE 118 HB2 -0.19 -0.06 0.16 -0.04 3.15 3.01 2gk0A1 PHE 118 HB3 -0.15 0.04 0.01 -0.04 3.06 2.93 2gk0A1 PHE 118 HD2 -0.18 0.08 -0.09 -0.04 7.28 7.05 2gk0A1 PHE 118 HE2 0.07 -0.03 -0.09 -0.04 7.38 7.30 2gk0A1 PHE 118 HZ 0.07 -0.04 -0.08 -0.04 7.32 7.23 2gk0A1 PRO 119 HA -0.11 0.04 0.52 -0.51 4.44 4.38 2gk0A1 PRO 119 HB2 -0.01 0.09 -0.01 -0.04 2.28 2.31 2gk0A1 PRO 119 HB3 -0.48 0.04 0.07 -0.04 2.02 1.60 2gk0A1 PRO 119 HG2 -0.13 0.01 0.09 -0.04 2.03 1.95 2gk0A1 PRO 119 HG3 -0.34 0.03 0.07 -0.04 2.03 1.75 2gk0A1 PRO 119 HD2 -0.08 0.05 0.28 -0.04 3.68 3.88 2gk0A1 PRO 119 HD3 -0.54 0.21 0.13 -0.04 3.65 3.40 2gk0A1 PRO 120 HA -0.17 0.23 0.45 -0.51 4.44 4.45 2gk0A1 PRO 120 HB2 -0.35 0.06 -0.12 -0.04 2.28 1.83 2gk0A1 PRO 120 HB3 -0.28 -0.25 0.06 -0.04 2.02 1.52 2gk0A1 PRO 120 HG2 -1.64 0.08 -0.09 -0.04 2.03 0.34 2gk0A1 PRO 120 HG3 -0.54 -0.09 -0.47 -0.04 2.03 0.89 2gk0A1 PRO 120 HD2 -0.54 0.13 0.12 -0.04 3.68 3.34 2gk0A1 PRO 120 HD3 -0.32 0.08 0.11 -0.04 3.65 3.48 2gk0A1 SER 121 H -0.09 0.01 0.16 -0.55 8.46 8.00 2gk0A1 SER 121 HA -0.05 0.26 0.77 -0.75 4.49 4.72 2gk0A1 SER 121 HB2 -0.04 -0.29 -0.04 -0.04 3.95 3.54 2gk0A1 SER 121 HB3 -0.05 0.08 0.10 -0.04 3.93 4.02 2gk0A1 SER 122 H -0.01 0.20 0.14 -0.55 8.46 8.24 2gk0A1 SER 122 HA 0.02 0.15 0.39 -0.75 4.49 4.29 2gk0A1 SER 122 HB2 0.01 0.05 0.01 -0.04 3.95 3.97 2gk0A1 SER 122 HB3 0.02 0.09 0.10 -0.04 3.93 4.10 2gk0A1 GLU 123 H -0.01 0.12 -0.02 -0.55 8.60 8.14 2gk0A1 GLU 123 HA -0.00 0.11 0.31 -0.75 4.29 3.95 2gk0A1 GLU 123 HB2 -0.01 0.09 -0.06 -0.04 2.09 2.06 2gk0A1 GLU 123 HB3 -0.01 0.05 0.08 -0.04 1.99 2.07 2gk0A1 GLU 123 HG2 -0.02 -0.30 -0.04 -0.04 2.34 1.94 2gk0A1 GLU 123 HG3 -0.02 0.10 -0.01 -0.04 2.34 2.37 2gk0A1 GLN 124 H -0.02 0.03 -0.28 -0.55 8.47 7.64 2gk0A1 GLN 124 HA -0.02 0.09 0.28 -0.75 4.36 3.95 2gk0A1 GLN 124 HB2 -0.03 0.00 0.04 -0.04 2.15 2.11 2gk0A1 GLN 124 HB3 -0.05 -0.03 0.03 -0.04 2.02 1.93 2gk0A1 GLN 124 HG2 -0.04 0.04 -0.40 -0.04 2.40 1.97 2gk0A1 GLN 124 HG3 -0.03 0.05 -0.08 -0.04 2.39 2.29 2gk0A1 GLN 124 HE21 -0.08 -0.00 -0.21 -0.04 6.97 6.64 2gk0A1 GLN 124 HE22 -0.05 0.09 -0.16 -0.04 7.69 7.52 2gk0A1 LEU 125 H -0.02 0.56 -0.30 -0.55 8.37 8.06 2gk0A1 LEU 125 HA -0.00 0.27 0.54 -0.75 4.35 4.41 2gk0A1 LEU 125 HB2 0.02 0.19 0.23 -0.04 1.64 2.04 2gk0A1 LEU 125 HB3 0.05 -0.11 0.07 -0.04 1.64 1.61 2gk0A1 LEU 125 HG -0.01 0.10 -0.21 -0.04 1.64 1.48 2gk0A1 LEU 125 HD13 0.19 -0.02 -0.05 -0.04 0.93 1.00 2gk0A1 LEU 125 HD23 -0.09 -0.03 0.03 -0.04 0.89 0.77 2gk0A1 THR 126 H 0.00 0.47 -0.26 -0.55 8.28 7.95 2gk0A1 THR 126 HA 0.01 0.04 0.65 -0.75 4.39 4.34 2gk0A1 THR 126 HB 0.00 -0.05 0.19 -0.04 4.32 4.42 2gk0A1 THR 126 HG23 0.01 -0.02 -0.00 -0.04 1.22 1.17 2gk0A1 SER 127 H -0.00 0.37 -0.87 -0.55 8.46 7.41 2gk0A1 SER 127 HA -0.00 0.13 0.79 -0.75 4.49 4.66 2gk0A1 SER 127 HB2 -0.01 0.01 0.06 -0.04 3.95 3.97 2gk0A1 SER 127 HB3 -0.01 -0.05 0.17 -0.04 3.93 4.00 2gk0A1 GLY 128 H 0.01 0.23 -0.06 -0.55 8.43 8.06 2gk0A1 GLY 128 HA2 0.01 -0.06 0.37 -0.51 4.01 3.82 2gk0A1 GLY 128 HA3 0.00 0.03 0.33 -0.51 4.01 3.87 2gk0A1 GLY 129 H -0.00 0.30 -0.05 -0.55 8.43 8.12 2gk0A1 GLY 129 HA2 -0.01 0.25 0.73 -0.51 4.01 4.46 2gk0A1 GLY 129 HA3 -0.02 0.02 0.26 -0.51 4.01 3.76 2gk0A1 ALA 130 H -0.06 0.29 0.01 -0.55 8.40 8.09 2gk0A1 ALA 130 HA -0.11 0.00 0.37 -0.75 4.34 3.84 2gk0A1 ALA 130 HB3 -0.10 0.04 -0.26 -0.04 1.41 1.04 2gk0A1 SER 131 H -0.15 0.12 0.09 -0.55 8.46 7.97 2gk0A1 SER 131 HA -0.19 0.19 0.97 -0.75 4.49 4.71 2gk0A1 SER 131 HB2 -0.09 -0.03 0.09 -0.04 3.95 3.87 2gk0A1 SER 131 HB3 -0.11 0.06 -0.10 -0.04 3.93 3.74 2gk0A1 VAL 132 H -0.31 0.29 -0.07 -0.55 8.24 7.60 2gk0A1 VAL 132 HA -0.11 0.32 0.97 -0.75 4.13 4.56 2gk0A1 VAL 132 HB -0.30 -0.06 0.13 -0.04 2.12 1.85 2gk0A1 VAL 132 HG13 0.27 -0.01 -0.09 -0.04 0.97 1.10 2gk0A1 VAL 132 HG23 -0.37 0.04 -0.05 -0.04 0.95 0.53 2gk0A1 VAL 133 H -0.01 0.61 0.17 -0.55 8.24 8.45 2gk0A1 VAL 133 HA -0.00 0.19 0.92 -0.75 4.13 4.48 2gk0A1 VAL 133 HB -0.13 -0.03 0.13 -0.04 2.12 2.05 2gk0A1 VAL 133 HG13 -0.44 0.02 -0.11 -0.04 0.97 0.40 2gk0A1 VAL 133 HG23 -0.06 -0.01 -0.18 -0.04 0.95 0.66 2gk0A1 CYS 134 H 0.42 0.63 0.42 -0.55 8.50 9.42 2gk0A1 CYS 134 HA -0.36 0.27 1.33 -0.75 4.58 5.06 2gk0A1 CYS 134 HB2 -0.27 -0.02 0.01 -0.04 2.97 2.65 2gk0A1 CYS 134 HB3 -0.11 -0.05 -0.00 -0.04 2.97 2.77 2gk0A1 PHE 135 H -0.15 0.22 0.29 -0.55 8.34 8.15 2gk0A1 PHE 135 HA -0.08 0.24 0.94 -0.75 4.62 4.96 2gk0A1 PHE 135 HB2 -0.20 -0.02 0.16 -0.04 3.15 3.05 2gk0A1 PHE 135 HB3 -0.07 -0.03 0.10 -0.04 3.06 3.02 2gk0A1 PHE 135 HD2 -0.01 0.03 0.27 -0.04 7.28 7.52 2gk0A1 PHE 135 HE2 0.14 -0.07 0.00 -0.04 7.38 7.41 2gk0A1 PHE 135 HZ 0.09 -0.04 -0.05 -0.04 7.32 7.27 2gk0A1 LEU 136 H 0.05 0.35 0.25 -0.55 8.37 8.49 2gk0A1 LEU 136 HA -0.04 0.15 0.41 -0.75 4.35 4.11 2gk0A1 LEU 136 HB2 -0.19 -0.07 0.01 -0.04 1.64 1.35 2gk0A1 LEU 136 HB3 -0.28 0.02 -0.14 -0.04 1.64 1.20 2gk0A1 LEU 136 HG -0.15 0.16 -0.27 -0.04 1.64 1.33 2gk0A1 LEU 136 HD13 -0.12 -0.06 -0.40 -0.04 0.93 0.31 2gk0A1 LEU 136 HD23 -0.35 0.01 -0.20 -0.04 0.89 0.31 2gk0A1 ASN 137 H 0.03 0.36 0.29 -0.55 8.53 8.65 2gk0A1 ASN 137 HA 0.07 0.17 1.17 -0.75 4.76 5.42 2gk0A1 ASN 137 HB2 0.02 0.05 0.15 -0.04 2.88 3.06 2gk0A1 ASN 137 HB3 0.01 -0.00 0.02 -0.04 2.79 2.78 2gk0A1 ASN 137 HD21 -0.02 -0.00 -0.06 -0.04 7.03 6.90 2gk0A1 ASN 137 HD22 0.01 0.01 -0.05 -0.04 7.74 7.68 2gk0A1 ASN 138 H 0.03 0.13 0.14 -0.55 8.53 8.28 2gk0A1 ASN 138 HA -0.03 -0.06 0.28 -0.75 4.76 4.19 2gk0A1 ASN 138 HB2 0.04 0.09 -0.19 -0.04 2.88 2.77 2gk0A1 ASN 138 HB3 0.03 0.03 0.13 -0.04 2.79 2.93 2gk0A1 ASN 138 HD21 -0.02 -0.00 -0.02 -0.04 7.03 6.95 2gk0A1 ASN 138 HD22 -0.00 -0.12 0.02 -0.04 7.74 7.60 2gk0A1 PHE 139 H -0.15 0.44 0.10 -0.55 8.34 8.18 2gk0A1 PHE 139 HA -0.03 0.36 0.87 -0.75 4.62 5.06 2gk0A1 PHE 139 HB2 -0.58 0.04 -0.04 -0.04 3.15 2.52 2gk0A1 PHE 139 HB3 -0.18 -0.03 -0.25 -0.04 3.06 2.55 2gk0A1 PHE 139 HD2 -0.19 0.09 -0.33 -0.04 7.28 6.81 2gk0A1 PHE 139 HE2 -0.08 -0.03 -0.42 -0.04 7.38 6.81 2gk0A1 PHE 139 HZ -0.28 0.02 -0.23 -0.04 7.32 6.79 2gk0A1 TYR 140 H 0.23 0.38 0.24 -0.55 8.29 8.59 2gk0A1 TYR 140 HA 0.15 -0.01 0.47 -0.75 4.56 4.42 2gk0A1 TYR 140 HB2 0.04 0.04 -0.18 -0.04 3.06 2.92 2gk0A1 TYR 140 HB3 0.11 0.07 0.06 -0.04 2.98 3.18 2gk0A1 TYR 140 HD2 0.06 0.15 -0.01 -0.04 7.15 7.30 2gk0A1 TYR 140 HE2 0.08 0.02 0.07 -0.04 6.85 6.97 2gk0A1 PRO 141 HA -0.37 0.12 0.36 -0.51 4.44 4.03 2gk0A1 PRO 141 HB2 0.07 -0.09 0.07 -0.04 2.28 2.29 2gk0A1 PRO 141 HB3 0.13 0.08 0.14 -0.04 2.02 2.33 2gk0A1 PRO 141 HG2 0.27 0.07 0.09 -0.04 2.03 2.43 2gk0A1 PRO 141 HG3 0.12 0.06 0.12 -0.04 2.03 2.29 2gk0A1 PRO 141 HD2 0.28 0.06 0.31 -0.04 3.68 4.29 2gk0A1 PRO 141 HD3 0.25 0.10 0.31 -0.04 3.65 4.28 2gk0A1 LYS 142 H -0.29 0.16 0.13 -0.55 8.42 7.87 2gk0A1 LYS 142 HA -0.35 0.14 0.30 -0.75 4.32 3.66 2gk0A1 LYS 142 HB2 -0.96 0.03 0.12 -0.04 1.87 1.02 2gk0A1 LYS 142 HB3 -0.33 -0.02 0.08 -0.04 1.79 1.48 2gk0A1 LYS 142 HG2 -0.28 -0.01 -0.04 -0.04 1.46 1.10 2gk0A1 LYS 142 HG3 -0.40 0.01 0.16 -0.04 1.46 1.19 2gk0A1 LYS 142 HD2 -2.14 0.01 0.03 -0.04 1.69 -0.46 2gk0A1 LYS 142 HD3 -0.47 -0.00 0.01 -0.04 1.68 1.17 2gk0A1 LYS 142 HE2 -0.25 -0.00 -0.00 -0.04 2.99 2.70 2gk0A1 LYS 142 HE3 -0.27 -0.01 0.03 -0.04 2.99 2.69 2gk0A1 ASP 143 H 0.13 -0.03 -0.72 -0.55 8.40 7.24 2gk0A1 ASP 143 HA 0.19 0.12 0.67 -0.75 4.63 4.86 2gk0A1 ASP 143 HB2 0.13 0.00 0.00 -0.04 2.71 2.80 2gk0A1 ASP 143 HB3 0.08 0.04 -0.00 -0.04 2.70 2.78 2gk0A1 ILE 144 H 0.31 0.31 0.20 -0.55 8.25 8.52 2gk0A1 ILE 144 HA 0.10 0.15 0.60 -0.75 4.18 4.28 2gk0A1 ILE 144 HB -0.16 -0.03 -0.33 -0.04 1.89 1.32 2gk0A1 ILE 144 HG12 -0.09 0.56 0.33 -0.04 1.49 2.25 2gk0A1 ILE 144 HG13 -0.29 -0.05 0.01 -0.04 1.21 0.84 2gk0A1 ILE 144 HG23 -0.28 -0.02 -0.33 -0.04 0.93 0.25 2gk0A1 ILE 144 HD13 -0.69 -0.04 -0.20 -0.04 0.88 -0.10 2gk0A1 ASN 145 H 0.01 0.35 0.21 -0.55 8.53 8.55 2gk0A1 ASN 145 HA 0.11 0.19 0.79 -0.75 4.76 5.09 2gk0A1 ASN 145 HB2 0.06 0.00 -0.11 -0.04 2.88 2.80 2gk0A1 ASN 145 HB3 0.03 -0.06 -0.02 -0.04 2.79 2.69 2gk0A1 ASN 145 HD21 0.06 0.01 -0.04 -0.04 7.03 7.01 2gk0A1 ASN 145 HD22 0.05 -0.02 -0.06 -0.04 7.74 7.67 2gk0A1 VAL 146 H 0.06 0.23 0.11 -0.55 8.24 8.10 2gk0A1 VAL 146 HA -0.06 0.25 1.07 -0.75 4.13 4.64 2gk0A1 VAL 146 HB 0.01 -0.07 -0.01 -0.04 2.12 2.01 2gk0A1 VAL 146 HG13 -0.05 0.05 -0.21 -0.04 0.97 0.72 2gk0A1 VAL 146 HG23 -0.15 -0.02 -0.31 -0.04 0.95 0.43 2gk0A1 LYS 147 H -0.08 0.63 0.04 -0.55 8.42 8.46 2gk0A1 LYS 147 HA 0.11 0.21 0.99 -0.75 4.32 4.88 2gk0A1 LYS 147 HB2 0.04 0.06 -0.13 -0.04 1.87 1.79 2gk0A1 LYS 147 HB3 -0.01 -0.07 -0.11 -0.04 1.79 1.56 2gk0A1 LYS 147 HG2 0.04 0.04 -0.72 -0.04 1.46 0.78 2gk0A1 LYS 147 HG3 0.05 0.01 -0.17 -0.04 1.46 1.31 2gk0A1 LYS 147 HD2 -0.03 -0.10 -0.21 -0.04 1.69 1.32 2gk0A1 LYS 147 HD3 0.01 0.03 -0.22 -0.04 1.68 1.46 2gk0A1 LYS 147 HE2 0.01 0.03 -0.14 -0.04 2.99 2.85 2gk0A1 LYS 147 HE3 -0.02 -0.05 -0.13 -0.04 2.99 2.75 2gk0A1 TRP 148 H 0.29 0.25 0.15 -0.55 7.97 8.11 2gk0A1 TRP 148 HA 0.02 0.43 1.00 -0.75 4.62 5.32 2gk0A1 TRP 148 HB2 0.02 0.06 0.19 -0.04 3.23 3.45 2gk0A1 TRP 148 HB3 0.04 0.01 0.00 -0.04 3.23 3.24 2gk0A1 TRP 148 HD1 -0.00 -0.02 -0.23 -0.04 7.22 6.93 2gk0A1 TRP 148 HE1 -0.04 -0.11 -0.30 -0.04 10.20 9.71 2gk0A1 TRP 148 HE3 0.10 -0.01 -0.05 -0.04 7.59 7.59 2gk0A1 TRP 148 HZ2 -0.10 -0.18 0.01 -0.04 7.44 7.12 2gk0A1 TRP 148 HZ3 0.14 -0.03 -0.15 -0.04 7.13 7.06 2gk0A1 TRP 148 HH2 -0.03 -0.08 -0.51 -0.04 7.19 6.53 2gk0A1 LYS 149 H 0.04 0.17 0.11 -0.55 8.42 8.19 2gk0A1 LYS 149 HA 0.09 0.34 1.11 -0.75 4.32 5.11 2gk0A1 LYS 149 HB2 0.00 -0.15 -0.02 -0.04 1.87 1.66 2gk0A1 LYS 149 HB3 0.01 -0.08 -0.23 -0.04 1.79 1.46 2gk0A1 LYS 149 HG2 0.04 -0.00 -0.42 -0.04 1.46 1.04 2gk0A1 LYS 149 HG3 0.01 -0.10 -0.29 -0.04 1.46 1.05 2gk0A1 LYS 149 HD2 -0.00 -0.09 -0.18 -0.04 1.69 1.38 2gk0A1 LYS 149 HD3 0.01 0.10 -0.21 -0.04 1.68 1.54 2gk0A1 LYS 149 HE2 0.00 -0.00 -0.10 -0.04 2.99 2.85 2gk0A1 LYS 149 HE3 -0.01 -0.08 -0.15 -0.04 2.99 2.72 2gk0A1 ILE 150 H 0.03 0.40 -0.03 -0.55 8.25 8.10 2gk0A1 ILE 150 HA -0.04 0.20 1.06 -0.75 4.18 4.64 2gk0A1 ILE 150 HB -0.10 -0.03 0.15 -0.04 1.89 1.86 2gk0A1 ILE 150 HG12 0.28 0.03 -0.38 -0.04 1.49 1.38 2gk0A1 ILE 150 HG13 0.07 -0.03 -0.18 -0.04 1.21 1.03 2gk0A1 ILE 150 HG23 -0.39 0.03 -0.02 -0.04 0.93 0.52 2gk0A1 ILE 150 HD13 0.17 0.02 -0.07 -0.04 0.88 0.96 2gk0A1 ASP 151 H -0.10 0.11 -0.23 -0.55 8.40 7.64 2gk0A1 ASP 151 HA -0.10 -0.02 0.21 -0.75 4.63 3.97 2gk0A1 ASP 151 HB2 -0.03 0.37 0.33 -0.04 2.71 3.35 2gk0A1 ASP 151 HB3 -0.06 -0.03 0.27 -0.04 2.70 2.84 2gk0A1 GLY 152 H -0.03 0.04 -0.25 -0.55 8.43 7.65 2gk0A1 GLY 152 HA2 -0.02 -0.00 0.27 -0.51 4.01 3.75 2gk0A1 GLY 152 HA3 -0.01 0.27 0.92 -0.51 4.01 4.68 2gk0A1 SER 153 H 0.00 0.21 -0.23 -0.55 8.46 7.89 2gk0A1 SER 153 HA 0.01 0.15 0.59 -0.75 4.49 4.49 2gk0A1 SER 153 HB2 0.01 0.02 0.05 -0.04 3.95 3.99 2gk0A1 SER 153 HB3 0.01 0.04 0.02 -0.04 3.93 3.96 2gk0A1 GLU 154 H 0.03 0.13 0.16 -0.55 8.60 8.37 2gk0A1 GLU 154 HA 0.07 0.22 0.78 -0.75 4.29 4.59 2gk0A1 GLU 154 HB2 0.03 -0.03 0.08 -0.04 2.09 2.13 2gk0A1 GLU 154 HB3 0.06 0.04 -0.06 -0.04 1.99 1.99 2gk0A1 GLU 154 HG2 0.04 0.01 -0.19 -0.04 2.34 2.16 2gk0A1 GLU 154 HG3 0.03 0.00 -0.06 -0.04 2.34 2.27 2gk0A1 ARG 155 H 0.12 0.60 0.33 -0.55 8.46 8.96 2gk0A1 ARG 155 HA 0.04 0.08 0.94 -0.75 4.34 4.65 2gk0A1 ARG 155 HB2 0.12 0.09 0.04 -0.04 1.90 2.10 2gk0A1 ARG 155 HB3 0.02 0.02 -0.05 -0.04 1.80 1.75 2gk0A1 ARG 155 HG2 0.06 -0.07 -0.25 -0.04 1.67 1.37 2gk0A1 ARG 155 HG3 0.01 0.04 -0.09 -0.04 1.67 1.58 2gk0A1 ARG 155 HD2 0.02 -0.08 0.18 -0.04 3.22 3.30 2gk0A1 ARG 155 HD3 0.02 0.14 -0.44 -0.04 3.22 2.91 2gk0A1 GLN 156 H 0.02 -0.05 0.20 -0.55 8.47 8.10 2gk0A1 GLN 156 HA 0.04 0.21 0.88 -0.75 4.36 4.74 2gk0A1 GLN 156 HB2 0.03 -0.02 0.02 -0.04 2.15 2.13 2gk0A1 GLN 156 HB3 0.03 0.02 0.02 -0.04 2.02 2.05 2gk0A1 GLN 156 HG2 0.05 0.02 -0.02 -0.04 2.40 2.41 2gk0A1 GLN 156 HG3 0.07 0.14 -0.19 -0.04 2.39 2.37 2gk0A1 GLN 156 HE21 0.04 -0.01 -0.08 -0.04 6.97 6.88 2gk0A1 GLN 156 HE22 0.05 0.03 -0.06 -0.04 7.69 7.66 2gk0A1 ASN 157 H 0.00 -0.07 0.18 -0.55 8.53 8.10 2gk0A1 ASN 157 HA -0.00 0.07 0.61 -0.75 4.76 4.68 2gk0A1 ASN 157 HB2 0.00 0.01 0.15 -0.04 2.88 2.99 2gk0A1 ASN 157 HB3 -0.01 -0.03 0.20 -0.04 2.79 2.91 2gk0A1 ASN 157 HD21 -0.02 0.00 -0.14 -0.04 7.03 6.84 2gk0A1 ASN 157 HD22 -0.03 0.00 -0.24 -0.04 7.74 7.43 2gk0A1 GLY 158 H -0.02 0.18 0.29 -0.55 8.43 8.33 2gk0A1 GLY 158 HA2 -0.04 0.00 0.35 -0.51 4.01 3.81 2gk0A1 GLY 158 HA3 -0.06 0.14 0.49 -0.51 4.01 4.07 2gk0A1 VAL 159 H -0.05 0.24 -0.18 -0.55 8.24 7.70 2gk0A1 VAL 159 HA -0.19 0.27 1.01 -0.75 4.13 4.46 2gk0A1 VAL 159 HB -0.01 -0.01 0.09 -0.04 2.12 2.15 2gk0A1 VAL 159 HG13 -0.04 -0.02 -0.17 -0.04 0.97 0.71 2gk0A1 VAL 159 HG23 -0.17 -0.01 -0.19 -0.04 0.95 0.54 2gk0A1 LEU 160 H -0.09 0.84 0.44 -0.55 8.37 9.02 2gk0A1 LEU 160 HA 0.04 0.06 0.84 -0.75 4.35 4.54 2gk0A1 LEU 160 HB2 -0.02 -0.03 0.11 -0.04 1.64 1.66 2gk0A1 LEU 160 HB3 0.03 0.02 0.00 -0.04 1.64 1.66 2gk0A1 LEU 160 HG 0.01 0.19 -0.05 -0.04 1.64 1.74 2gk0A1 LEU 160 HD13 -0.03 0.01 -0.21 -0.04 0.93 0.66 2gk0A1 LEU 160 HD23 0.02 -0.02 0.00 -0.04 0.89 0.85 2gk0A1 ASN 161 H 0.12 0.16 0.21 -0.55 8.53 8.47 2gk0A1 ASN 161 HA 0.10 0.58 1.18 -0.75 4.76 5.87 2gk0A1 ASN 161 HB2 0.39 -0.02 -0.02 -0.04 2.88 3.19 2gk0A1 ASN 161 HB3 0.06 0.00 0.07 -0.04 2.79 2.88 2gk0A1 ASN 161 HD21 0.16 0.03 -0.02 -0.04 7.03 7.16 2gk0A1 ASN 161 HD22 0.28 0.01 0.02 -0.04 7.74 8.01 2gk0A1 SER 162 H 0.04 0.35 0.35 -0.55 8.46 8.65 2gk0A1 SER 162 HA 0.30 0.11 0.85 -0.75 4.49 4.98 2gk0A1 SER 162 HB2 0.12 0.06 -0.05 -0.04 3.95 4.04 2gk0A1 SER 162 HB3 0.10 -0.09 0.12 -0.04 3.93 4.02 2gk0A1 TRP 163 H 0.57 0.13 0.18 -0.55 7.97 8.31 2gk0A1 TRP 163 HA 0.09 0.34 1.02 -0.75 4.62 5.31 2gk0A1 TRP 163 HB2 0.03 -0.04 0.12 -0.04 3.23 3.29 2gk0A1 TRP 163 HB3 0.03 0.05 0.10 -0.04 3.23 3.37 2gk0A1 TRP 163 HD1 -0.10 -0.01 0.10 -0.04 7.22 7.16 2gk0A1 TRP 163 HE1 0.06 0.19 0.08 -0.04 10.20 10.49 2gk0A1 TRP 163 HE3 0.05 -0.11 -0.17 -0.04 7.59 7.32 2gk0A1 TRP 163 HZ2 0.05 0.07 0.03 -0.04 7.44 7.55 2gk0A1 TRP 163 HZ3 0.05 -0.02 -0.11 -0.04 7.13 7.01 2gk0A1 TRP 163 HH2 0.04 -0.01 -0.02 -0.04 7.19 7.16 2gk0A1 THR 164 H 0.25 0.22 0.26 -0.55 8.28 8.46 2gk0A1 THR 164 HA 0.13 0.20 1.00 -0.75 4.39 4.96 2gk0A1 THR 164 HB 0.04 0.01 0.09 -0.04 4.32 4.42 2gk0A1 THR 164 HG23 0.01 0.01 -0.30 -0.04 1.22 0.90 2gk0A1 ASP 165 H 0.08 0.08 0.13 -0.55 8.40 8.14 2gk0A1 ASP 165 HA 0.13 0.04 0.48 -0.75 4.63 4.53 2gk0A1 ASP 165 HB2 0.04 -0.05 0.11 -0.04 2.71 2.77 2gk0A1 ASP 165 HB3 0.04 0.12 0.03 -0.04 2.70 2.86 2gk0A1 GLN 166 H 0.08 0.07 0.14 -0.55 8.47 8.22 2gk0A1 GLN 166 HA -0.45 0.10 0.44 -0.75 4.36 3.69 2gk0A1 GLN 166 HB2 -0.03 -0.03 0.13 -0.04 2.15 2.18 2gk0A1 GLN 166 HB3 -0.06 0.04 0.08 -0.04 2.02 2.04 2gk0A1 GLN 166 HG2 -0.27 -0.04 -0.07 -0.04 2.40 1.97 2gk0A1 GLN 166 HG3 -1.11 0.00 -0.17 -0.04 2.39 1.07 2gk0A1 GLN 166 HE21 0.21 -0.13 0.09 -0.04 6.97 7.10 2gk0A1 GLN 166 HE22 0.23 0.01 0.03 -0.04 7.69 7.92 2gk0A1 ASP 167 H -0.24 0.48 0.31 -0.55 8.40 8.40 2gk0A1 ASP 167 HA -0.06 0.11 0.47 -0.75 4.63 4.39 2gk0A1 ASP 167 HB2 -0.10 0.26 0.25 -0.04 2.71 3.07 2gk0A1 ASP 167 HB3 -0.11 -0.47 0.27 -0.04 2.70 2.36 2gk0A1 SER 168 H -0.03 0.14 0.17 -0.55 8.46 8.20 2gk0A1 SER 168 HA -0.00 0.50 0.75 -0.75 4.49 4.98 2gk0A1 SER 168 HB2 0.00 -0.06 0.10 -0.04 3.95 3.95 2gk0A1 SER 168 HB3 0.01 0.18 0.19 -0.04 3.93 4.27 2gk0A1 LYS 169 H -0.03 -0.22 -0.25 -0.55 8.42 7.37 2gk0A1 LYS 169 HA -0.01 0.20 0.85 -0.75 4.32 4.62 2gk0A1 LYS 169 HB2 -0.02 -0.07 0.02 -0.04 1.87 1.76 2gk0A1 LYS 169 HB3 -0.01 0.05 -0.02 -0.04 1.79 1.77 2gk0A1 LYS 169 HG2 -0.01 -0.06 -0.33 -0.04 1.46 1.02 2gk0A1 LYS 169 HG3 -0.00 0.02 -0.06 -0.04 1.46 1.38 2gk0A1 LYS 169 HD2 0.00 -0.05 0.06 -0.04 1.69 1.66 2gk0A1 LYS 169 HD3 0.00 0.33 0.23 -0.04 1.68 2.20 2gk0A1 LYS 169 HE2 0.01 -0.02 0.03 -0.04 2.99 2.97 2gk0A1 LYS 169 HE3 0.01 0.05 -0.04 -0.04 2.99 2.97 2gk0A1 ASP 170 H -0.04 -0.11 0.08 -0.55 8.40 7.78 2gk0A1 ASP 170 HA -0.03 0.28 0.89 -0.75 4.63 5.02 2gk0A1 ASP 170 HB2 -0.02 0.10 0.04 -0.04 2.71 2.79 2gk0A1 ASP 170 HB3 -0.02 0.03 -0.04 -0.04 2.70 2.63 2gk0A1 SER 171 H -0.06 -0.08 -0.09 -0.55 8.46 7.69 2gk0A1 SER 171 HA -0.08 0.18 0.29 -0.75 4.49 4.12 2gk0A1 SER 171 HB2 -0.11 0.07 0.25 -0.04 3.95 4.11 2gk0A1 SER 171 HB3 -0.03 -0.01 0.00 -0.04 3.93 3.86 2gk0A1 THR 172 H -0.14 -0.07 0.08 -0.55 8.28 7.60 2gk0A1 THR 172 HA -0.04 0.36 0.92 -0.75 4.39 4.88 2gk0A1 THR 172 HB -0.07 -0.05 -0.05 -0.04 4.32 4.11 2gk0A1 THR 172 HG23 0.01 0.04 -0.38 -0.04 1.22 0.85 2gk0A1 TYR 173 H -0.30 0.54 0.25 -0.55 8.29 8.22 2gk0A1 TYR 173 HA -0.19 0.17 0.89 -0.75 4.56 4.67 2gk0A1 TYR 173 HB2 -1.09 0.12 0.10 -0.04 3.06 2.15 2gk0A1 TYR 173 HB3 -0.37 0.05 0.14 -0.04 2.98 2.77 2gk0A1 TYR 173 HD2 -0.24 0.18 0.04 -0.04 7.15 7.08 2gk0A1 TYR 173 HE2 -0.21 -0.01 0.00 -0.04 6.85 6.60 2gk0A1 SER 174 H -0.01 0.20 0.27 -0.55 8.46 8.38 2gk0A1 SER 174 HA 0.21 0.32 0.87 -0.75 4.49 5.13 2gk0A1 SER 174 HB2 -0.06 -0.02 0.03 -0.04 3.95 3.86 2gk0A1 SER 174 HB3 -0.08 0.03 0.21 -0.04 3.93 4.05 2gk0A1 MET 175 H -0.03 0.34 0.35 -0.55 8.47 8.57 2gk0A1 MET 175 HA -0.21 0.50 1.00 -0.75 4.52 5.05 2gk0A1 MET 175 HB2 -0.75 0.06 -0.04 -0.04 2.15 1.38 2gk0A1 MET 175 HB3 -0.23 -0.05 -0.13 -0.04 2.03 1.57 2gk0A1 MET 175 HG2 -0.10 -0.09 -0.49 -0.04 2.63 1.91 2gk0A1 MET 175 HG3 -0.22 0.01 -0.32 -0.04 2.56 2.00 2gk0A1 MET 175 HE3 -0.63 0.01 -0.22 -0.04 2.10 1.22 2gk0A1 SER 176 H -0.02 0.47 0.35 -0.55 8.46 8.71 2gk0A1 SER 176 HA 0.60 0.25 0.98 -0.75 4.49 5.57 2gk0A1 SER 176 HB2 0.30 0.00 0.06 -0.04 3.95 4.27 2gk0A1 SER 176 HB3 0.14 -0.05 0.17 -0.04 3.93 4.15 2gk0A1 SER 177 H 0.21 0.69 0.19 -0.55 8.46 9.00 2gk0A1 SER 177 HA 0.16 0.09 0.81 -0.75 4.49 4.79 2gk0A1 SER 177 HB2 0.13 -0.01 -0.14 -0.04 3.95 3.90 2gk0A1 SER 177 HB3 0.60 -0.04 -0.05 -0.04 3.93 4.39 2gk0A1 THR 178 H 0.00 0.26 0.14 -0.55 8.28 8.13 2gk0A1 THR 178 HA -0.24 0.29 1.02 -0.75 4.39 4.70 2gk0A1 THR 178 HB -0.06 0.10 0.07 -0.04 4.32 4.39 2gk0A1 THR 178 HG23 -0.18 -0.04 -0.26 -0.04 1.22 0.69 2gk0A1 LEU 179 H -0.99 0.46 0.12 -0.55 8.37 7.42 2gk0A1 LEU 179 HA -0.37 0.26 0.86 -0.75 4.35 4.35 2gk0A1 LEU 179 HB2 -0.79 -0.03 -0.09 -0.04 1.64 0.69 2gk0A1 LEU 179 HB3 -1.05 0.01 0.14 -0.04 1.64 0.70 2gk0A1 LEU 179 HG -0.24 -0.03 -0.13 -0.04 1.64 1.20 2gk0A1 LEU 179 HD13 -0.15 0.03 -0.35 -0.04 0.93 0.42 2gk0A1 LEU 179 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.63 2gk0A1 THR 180 H -0.19 0.27 0.02 -0.55 8.28 7.83 2gk0A1 THR 180 HA -0.18 0.25 1.03 -0.75 4.39 4.73 2gk0A1 THR 180 HB -0.09 0.03 0.10 -0.04 4.32 4.31 2gk0A1 THR 180 HG23 -0.08 0.01 -0.33 -0.04 1.22 0.78 2gk0A1 LEU 181 H -0.09 0.57 0.28 -0.55 8.37 8.58 2gk0A1 LEU 181 HA -0.04 0.14 0.71 -0.75 4.35 4.40 2gk0A1 LEU 181 HB2 -0.00 -0.50 0.22 -0.04 1.64 1.31 2gk0A1 LEU 181 HB3 -0.03 0.06 0.02 -0.04 1.64 1.65 2gk0A1 LEU 181 HG -0.11 0.01 -0.40 -0.04 1.64 1.10 2gk0A1 LEU 181 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.82 2gk0A1 LEU 181 HD23 -0.06 0.01 -0.17 -0.04 0.89 0.63 2gk0A1 THR 182 H 0.01 0.09 0.09 -0.55 8.28 7.92 2gk0A1 THR 182 HA 0.01 0.29 0.71 -0.75 4.39 4.65 2gk0A1 THR 182 HB 0.02 0.01 0.08 -0.04 4.32 4.39 2gk0A1 THR 182 HG23 0.01 0.04 -0.05 -0.04 1.22 1.18 2gk0A1 LYS 183 H 0.03 0.18 0.01 -0.55 8.42 8.08 2gk0A1 LYS 183 HA 0.10 0.17 0.38 -0.75 4.32 4.22 2gk0A1 LYS 183 HB2 0.04 -0.11 0.20 -0.04 1.87 1.96 2gk0A1 LYS 183 HB3 0.06 0.06 -0.01 -0.04 1.79 1.86 2gk0A1 LYS 183 HG2 0.04 0.00 0.12 -0.04 1.46 1.58 2gk0A1 LYS 183 HG3 0.05 0.04 0.21 -0.04 1.46 1.72 2gk0A1 LYS 183 HD2 0.02 0.21 0.33 -0.04 1.69 2.20 2gk0A1 LYS 183 HD3 0.02 -0.17 0.13 -0.04 1.68 1.63 2gk0A1 LYS 183 HE2 0.02 -0.05 0.11 -0.04 2.99 3.03 2gk0A1 LYS 183 HE3 0.03 -0.03 0.10 -0.04 2.99 3.05 2gk0A1 ASP 184 H 0.05 0.08 -0.05 -0.55 8.40 7.93 2gk0A1 ASP 184 HA 0.05 0.15 0.29 -0.75 4.63 4.36 2gk0A1 ASP 184 HB2 0.04 -0.09 0.06 -0.04 2.71 2.69 2gk0A1 ASP 184 HB3 0.05 0.05 -0.00 -0.04 2.70 2.76 2gk0A1 GLU 185 H 0.07 0.02 -0.19 -0.55 8.60 7.96 2gk0A1 GLU 185 HA 0.15 0.07 0.19 -0.75 4.29 3.94 2gk0A1 GLU 185 HB2 0.06 0.08 -0.10 -0.04 2.09 2.09 2gk0A1 GLU 185 HB3 0.07 0.02 0.03 -0.04 1.99 2.06 2gk0A1 GLU 185 HG2 0.04 0.02 0.01 -0.04 2.34 2.38 2gk0A1 GLU 185 HG3 0.06 -0.13 -0.02 -0.04 2.34 2.21 2gk0A1 TYR 186 H 0.19 0.32 -0.33 -0.55 8.29 7.92 2gk0A1 TYR 186 HA 0.14 0.05 0.59 -0.75 4.56 4.59 2gk0A1 TYR 186 HB2 -0.04 -0.06 0.03 -0.04 3.06 2.95 2gk0A1 TYR 186 HB3 0.01 0.12 0.10 -0.04 2.98 3.17 2gk0A1 TYR 186 HD2 -0.19 -0.00 -0.06 -0.04 7.15 6.85 2gk0A1 TYR 186 HE2 -0.46 -0.01 -0.07 -0.04 6.85 6.28 2gk0A1 GLU 187 H 0.13 0.69 -0.10 -0.55 8.60 8.77 2gk0A1 GLU 187 HA -0.13 0.03 0.48 -0.75 4.29 3.92 2gk0A1 GLU 187 HB2 0.10 0.11 -0.04 -0.04 2.09 2.23 2gk0A1 GLU 187 HB3 0.04 -0.08 0.10 -0.04 1.99 2.01 2gk0A1 GLU 187 HG2 0.02 -0.04 0.04 -0.04 2.34 2.31 2gk0A1 GLU 187 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 2gk0A1 ARG 188 H 0.01 0.16 -0.34 -0.55 8.46 7.73 2gk0A1 ARG 188 HA -0.09 0.03 0.41 -0.75 4.34 3.94 2gk0A1 ARG 188 HB2 -0.27 -0.09 0.02 -0.04 1.90 1.51 2gk0A1 ARG 188 HB3 -0.06 -0.01 0.09 -0.04 1.80 1.78 2gk0A1 ARG 188 HG2 0.12 0.27 -0.56 -0.04 1.67 1.46 2gk0A1 ARG 188 HG3 0.36 0.13 -0.11 -0.04 1.67 2.00 2gk0A1 ARG 188 HD2 0.11 -0.23 -0.46 -0.04 3.22 2.60 2gk0A1 ARG 188 HD3 0.07 -0.07 -0.14 -0.04 3.22 3.04 2gk0A1 HIS 189 H 0.03 0.29 0.21 -0.55 8.41 8.39 2gk0A1 HIS 189 HA -0.15 0.07 0.92 -0.75 4.63 4.72 2gk0A1 HIS 189 HB2 0.06 0.12 0.10 -0.04 3.26 3.50 2gk0A1 HIS 189 HB3 -0.44 -0.02 -0.03 -0.04 3.20 2.66 2gk0A1 HIS 189 HD2 -0.12 0.01 -0.01 -0.04 6.97 6.80 2gk0A1 HIS 189 HE1 0.01 -0.08 -0.04 -0.04 7.75 7.59 2gk0A1 ASN 190 H -0.18 0.07 0.14 -0.55 8.53 8.01 2gk0A1 ASN 190 HA -0.06 0.21 0.75 -0.75 4.76 4.91 2gk0A1 ASN 190 HB2 -0.08 0.14 -0.01 -0.04 2.88 2.90 2gk0A1 ASN 190 HB3 -0.12 0.01 0.21 -0.04 2.79 2.85 2gk0A1 ASN 190 HD21 -0.06 0.01 -0.02 -0.04 7.03 6.91 2gk0A1 ASN 190 HD22 -0.11 -0.10 0.10 -0.04 7.74 7.59 2gk0A1 SER 191 H -0.24 0.04 0.15 -0.55 8.46 7.86 2gk0A1 SER 191 HA -0.25 0.27 0.48 -0.75 4.49 4.23 2gk0A1 SER 191 HB2 -0.16 -0.05 -0.09 -0.04 3.95 3.61 2gk0A1 SER 191 HB3 -0.11 -0.00 -0.03 -0.04 3.93 3.75 2gk0A1 TYR 192 H -0.22 0.23 0.30 -0.55 8.29 8.05 2gk0A1 TYR 192 HA -0.02 0.07 0.86 -0.75 4.56 4.71 2gk0A1 TYR 192 HB2 -0.64 0.05 0.08 -0.04 3.06 2.50 2gk0A1 TYR 192 HB3 0.28 0.00 -0.02 -0.04 2.98 3.21 2gk0A1 TYR 192 HD2 -0.37 0.05 -0.11 -0.04 7.15 6.68 2gk0A1 TYR 192 HE2 -0.09 0.07 -0.08 -0.04 6.85 6.71 2gk0A1 THR 193 H 0.11 0.82 0.35 -0.55 8.28 9.01 2gk0A1 THR 193 HA -0.07 0.02 0.56 -0.75 4.39 4.14 2gk0A1 THR 193 HB -0.01 -0.31 0.29 -0.04 4.32 4.24 2gk0A1 THR 193 HG23 -0.07 0.02 -0.12 -0.04 1.22 1.01 2gk0A1 CYS 194 H -0.22 0.07 -0.00 -0.55 8.50 7.81 2gk0A1 CYS 194 HA -0.89 0.26 1.00 -0.75 4.58 4.19 2gk0A1 CYS 194 HB2 -0.72 0.08 -0.05 -0.04 2.97 2.24 2gk0A1 CYS 194 HB3 -0.32 -0.15 0.18 -0.04 2.97 2.65 2gk0A1 GLU 195 H -0.27 0.74 0.18 -0.55 8.60 8.71 2gk0A1 GLU 195 HA -0.13 0.23 0.64 -0.75 4.29 4.28 2gk0A1 GLU 195 HB2 -0.08 -0.00 0.08 -0.04 2.09 2.04 2gk0A1 GLU 195 HB3 -0.06 -0.03 -0.02 -0.04 1.99 1.84 2gk0A1 GLU 195 HG2 -0.09 -0.09 -0.16 -0.04 2.34 1.96 2gk0A1 GLU 195 HG3 -0.05 -0.02 -0.12 -0.04 2.34 2.11 2gk0A1 ALA 196 H -0.08 0.09 0.14 -0.55 8.40 8.00 2gk0A1 ALA 196 HA -0.08 0.31 0.72 -0.75 4.34 4.54 2gk0A1 ALA 196 HB3 -0.16 0.05 0.04 -0.04 1.41 1.30 2gk0A1 THR 197 H -0.03 0.19 0.25 -0.55 8.28 8.14 2gk0A1 THR 197 HA -0.02 0.19 1.03 -0.75 4.39 4.84 2gk0A1 THR 197 HB 0.01 -0.01 -0.07 -0.04 4.32 4.21 2gk0A1 THR 197 HG23 -0.00 0.04 -0.12 -0.04 1.22 1.10 2gk0A1 HIS 198 H 0.05 0.40 0.25 -0.55 8.41 8.57 2gk0A1 HIS 198 HA -0.01 0.17 0.59 -0.75 4.63 4.62 2gk0A1 HIS 198 HB2 -0.09 0.11 -0.09 -0.04 3.26 3.15 2gk0A1 HIS 198 HB3 -0.01 -0.06 0.06 -0.04 3.20 3.15 2gk0A1 HIS 198 HD2 0.10 0.33 0.17 -0.04 6.97 7.53 2gk0A1 HIS 198 HE1 0.18 0.30 -0.03 -0.04 7.75 8.16 2gk0A1 LYS 199 H -0.73 0.00 0.13 -0.55 8.42 7.27 2gk0A1 LYS 199 HA -0.14 0.08 0.31 -0.75 4.32 3.81 2gk0A1 LYS 199 HB2 -0.27 0.05 -0.03 -0.04 1.87 1.57 2gk0A1 LYS 199 HB3 -0.13 0.00 0.10 -0.04 1.79 1.72 2gk0A1 LYS 199 HG2 -0.50 0.00 0.21 -0.04 1.46 1.13 2gk0A1 LYS 199 HG3 -0.27 0.05 0.12 -0.04 1.46 1.32 2gk0A1 LYS 199 HD2 0.00 -0.02 0.05 -0.04 1.69 1.68 2gk0A1 LYS 199 HD3 -0.04 -0.00 0.03 -0.04 1.68 1.62 2gk0A1 LYS 199 HE2 0.09 0.04 -0.01 -0.04 2.99 3.06 2gk0A1 LYS 199 HE3 0.18 0.06 0.06 -0.04 2.99 3.25 2gk0A1 THR 200 H -0.43 -0.01 -0.44 -0.55 8.28 6.85 2gk0A1 THR 200 HA -0.01 0.04 0.33 -0.75 4.39 4.00 2gk0A1 THR 200 HB 0.10 0.01 -0.10 -0.04 4.32 4.28 2gk0A1 THR 200 HG23 0.22 0.02 -0.41 -0.04 1.22 1.00 2gk0A1 SER 201 H 0.03 0.13 -0.05 -0.55 8.46 8.02 2gk0A1 SER 201 HA 0.01 0.10 0.89 -0.75 4.49 4.73 2gk0A1 SER 201 HB2 0.03 -0.06 0.05 -0.04 3.95 3.92 2gk0A1 SER 201 HB3 0.01 0.18 0.12 -0.04 3.93 4.20 2gk0A1 THR 202 H -0.00 0.10 0.17 -0.55 8.28 8.00 2gk0A1 THR 202 HA -0.01 0.11 0.43 -0.75 4.39 4.17 2gk0A1 THR 202 HB -0.00 -0.01 0.00 -0.04 4.32 4.26 2gk0A1 THR 202 HG23 -0.01 0.01 0.04 -0.04 1.22 1.22 2gk0A1 SER 203 H -0.00 -0.03 -0.12 -0.55 8.46 7.76 2gk0A1 SER 203 HA -0.01 0.15 0.66 -0.75 4.49 4.54 2gk0A1 SER 203 HB2 -0.00 -0.08 0.06 -0.04 3.95 3.88 2gk0A1 SER 203 HB3 -0.01 0.02 -0.03 -0.04 3.93 3.87 2gk0A1 PRO 204 HA -0.02 0.08 0.46 -0.51 4.44 4.45 2gk0A1 PRO 204 HB2 -0.03 0.00 -0.11 -0.04 2.28 2.10 2gk0A1 PRO 204 HB3 -0.03 -0.04 -0.00 -0.04 2.02 1.91 2gk0A1 PRO 204 HG2 -0.02 0.01 0.03 -0.04 2.03 2.02 2gk0A1 PRO 204 HG3 -0.01 0.07 0.04 -0.04 2.03 2.09 2gk0A1 PRO 204 HD2 -0.01 0.07 0.18 -0.04 3.68 3.88 2gk0A1 PRO 204 HD3 -0.01 0.17 0.25 -0.04 3.65 4.02 2gk0A1 ILE 205 H -0.05 0.32 0.16 -0.55 8.25 8.14 2gk0A1 ILE 205 HA -0.04 0.10 0.79 -0.75 4.18 4.29 2gk0A1 ILE 205 HB -0.07 0.19 0.28 -0.04 1.89 2.25 2gk0A1 ILE 205 HG12 -0.02 0.00 -0.04 -0.04 1.49 1.39 2gk0A1 ILE 205 HG13 -0.02 0.02 0.20 -0.04 1.21 1.36 2gk0A1 ILE 205 HG23 -0.05 -0.00 -0.07 -0.04 0.93 0.76 2gk0A1 ILE 205 HD13 -0.02 -0.02 0.05 -0.04 0.88 0.86 2gk0A1 VAL 206 H -0.05 0.23 0.20 -0.55 8.24 8.07 2gk0A1 VAL 206 HA -0.11 0.51 1.09 -0.75 4.13 4.86 2gk0A1 VAL 206 HB -0.05 0.01 0.01 -0.04 2.12 2.05 2gk0A1 VAL 206 HG13 -0.07 -0.10 -0.18 -0.04 0.97 0.58 2gk0A1 VAL 206 HG23 -0.07 -0.00 -0.41 -0.04 0.95 0.43 2gk0A1 LYS 207 H -0.13 0.30 0.11 -0.55 8.42 8.14 2gk0A1 LYS 207 HA -0.03 0.16 0.84 -0.75 4.32 4.53 2gk0A1 LYS 207 HB2 -0.13 0.00 0.07 -0.04 1.87 1.77 2gk0A1 LYS 207 HB3 -0.10 -0.01 0.23 -0.04 1.79 1.87 2gk0A1 LYS 207 HG2 -0.08 0.10 -0.06 -0.04 1.46 1.38 2gk0A1 LYS 207 HG3 -0.07 -0.06 0.07 -0.04 1.46 1.35 2gk0A1 LYS 207 HD2 -0.02 0.01 0.12 -0.04 1.69 1.76 2gk0A1 LYS 207 HD3 -0.03 0.11 0.25 -0.04 1.68 1.96 2gk0A1 LYS 207 HE2 -0.02 0.08 0.09 -0.04 2.99 3.09 2gk0A1 LYS 207 HE3 -0.01 -0.04 0.08 -0.04 2.99 2.98 2gk0A1 SER 208 H -0.00 0.12 -0.07 -0.55 8.46 7.96 2gk0A1 SER 208 HA 0.06 0.36 0.67 -0.75 4.49 4.82 2gk0A1 SER 208 HB2 -0.02 -0.07 0.02 -0.04 3.95 3.84 2gk0A1 SER 208 HB3 0.02 0.01 -0.03 -0.04 3.93 3.89 2gk0A1 PHE 209 H 0.06 0.15 0.28 -0.55 8.34 8.27 2gk0A1 PHE 209 HA 0.06 -0.00 0.50 -0.75 4.62 4.41 2gk0A1 PHE 209 HB2 0.09 -0.00 0.16 -0.04 3.15 3.35 2gk0A1 PHE 209 HB3 0.06 0.15 -0.25 -0.04 3.06 2.97 2gk0A1 PHE 209 HD2 0.13 0.09 -0.07 -0.04 7.28 7.39 2gk0A1 PHE 209 HE2 0.22 -0.02 -0.10 -0.04 7.38 7.44 2gk0A1 PHE 209 HZ -0.02 -0.04 -0.05 -0.04 7.32 7.17 2gk0A1 ASN 210 H 0.13 0.13 0.13 -0.55 8.53 8.38 2gk0A1 ASN 210 HA -0.13 0.06 0.13 -0.75 4.76 4.07 2gk0A1 ASN 210 HB2 0.04 0.05 0.01 -0.04 2.88 2.93 2gk0A1 ASN 210 HB3 -0.02 -0.08 0.02 -0.04 2.79 2.66 2gk0A1 ASN 210 HD21 -0.00 0.03 -0.04 -0.04 7.03 6.98 2gk0A1 ASN 210 HD22 -0.02 -0.02 -0.02 -0.04 7.74 7.64 2gk0A1 ARG 211 H -0.03 -0.17 -0.01 -0.55 8.46 7.70 2gk0A1 ARG 211 HA 0.14 0.25 0.83 -0.75 4.34 4.81 2gk0A1 ARG 211 HB2 0.03 0.10 0.46 -0.04 1.90 2.45 2gk0A1 ARG 211 HB3 0.01 -0.09 0.22 -0.04 1.80 1.89 2gk0A1 ARG 211 HG2 0.11 -0.11 0.11 -0.04 1.67 1.74 2gk0A1 ARG 211 HG3 0.25 0.07 0.09 -0.04 1.67 2.05 2gk0A1 ARG 211 HD2 -0.52 -0.07 0.05 -0.04 3.22 2.64 2gk0A1 ARG 211 HD3 -0.12 0.71 0.30 -0.04 3.22 4.07 2gk0A1 ASN 212 H 0.04 0.06 -0.34 -0.55 8.53 7.75 2gk0A1 ASN 212 HA 0.03 0.25 0.44 -0.75 4.76 4.72 2gk0A1 ASN 212 HB2 0.01 -0.08 0.01 -0.04 2.88 2.77 2gk0A1 ASN 212 HB3 0.01 0.04 0.04 -0.04 2.79 2.84 2gk0A1 ASN 212 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2gk0A1 ASN 212 HD22 0.01 0.02 0.09 -0.04 7.74 7.81